3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

C102H135Cl2F3N14O3S6 — CID 160997687

About 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine

3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (PubChem CID 160997687) has the molecular formula C102H135Cl2F3N14O3S6 and a molecular weight of 1925.60 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

Molecular Properties

• Compound Name: 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
• PubChem CID: 160997687
• Molecular Formula: C102H135Cl2F3N14O3S6
• Molecular Weight: 1925.60 g/mol
• Exact Mass: 1922.85
• IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
• SMILES: C.C.C.C.C.CC(CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.N#Cc1ccc2c(c1)N(CCCN1CCN(O)CC1)c1ccccc1S2
• InChI: InChI=1S/C22H30N4O2S2.C20H22N4OS.C19H23ClN2S.C19H21F3N2S.C17H19ClN2S.5CH4/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;21-15-16-6-7-20-18(14-16)24(17-4-1-2-5-19(17)26-20)9-3-8-22-10-12-23(25)13-11-22;1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22;1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22;1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;;;;;/h4-5,7-10,17H,6,11-16H2,1-3H3;1-2,4-7,14,25H,3,8-13H2;5-6,8-11,14H,3-4,7,12-13H2,1-2H3;4-10,13H,11-12H2,1-3H3;3-4,6-9,12H,5,10-11H2,1-2H3;5*1H4
• InChIKey: TVLREPXOZZDNKJ-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 120.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.60
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?

The IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine (CID 160997687) is 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine.

What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?

The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is C.C.C.C.C.CC(CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.N#Cc1ccc2c(c1)N(CCCN1CCN(O)CC1)c1ccccc1S2.

What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?

The InChIKey is TVLREPXOZZDNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S2.C20H22N4OS.C19H23ClN2S.C19H21F3N2S.C17H19ClN2S.5CH4/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;21-15-16-6-7-20-18(14-16)24(17-4-1-2-5-19(17)26-20)9-3-8-22-10-12-23(25)13-11-22;1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22;1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22;1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;;;;;/h4-5,7-10,17H,6,11-16H2,1-3H3;1-2,4-7,14,25H,3,8-13H2;5-6,8-11,14H,3-4,7,12-13H2,1-2H3;4-10,13H,11-12H2,1-3H3;3-4,6-9,12H,5,10-11H2,1-2H3;5*1H4.

What are the key properties of 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine?

3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine has a molecular weight of 1925.60 g/mol, XLogP of 25.99, 24 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine is sourced from PubChem (CID 160997687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).