3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

C17H19ClN2OS — CID 18334572

IUPAC3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCN)c1cc(Cl)ccc1S2=O
InChIInChI=1S/C17H19ClN2OS/c1-11-4-6-16-17(12(11)2)20(9-3-8-19)14-10-13(18)5-7-15(14)22(16)21/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyPLVIUIOSMLJDPW-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.92
Rot. Bonds3

About 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (PubChem CID 18334572) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
PubChem CID18334572
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCN)c1cc(Cl)ccc1S2=O
InChIInChI=1S/C17H19ClN2OS/c1-11-4-6-16-17(12(11)2)20(9-3-8-19)14-10-13(18)5-7-15(14)22(16)21/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyPLVIUIOSMLJDPW-UHFFFAOYSA-N
XLogP3.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
CID 18334412
1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide
CID 18334407
N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
CID 12052197
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-prop-2-ynylpropan-1-amine
CID 18334617
2-[cyanomethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetonitrile
CID 163596583
N-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-4-fluorobenzenesulfonamide
CID 139795073
4-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]phenol;methane
CID 160626614
2-[2,2-dihydroxyethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetic acid
CID 20715046
2-[benzyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]ethane-1,1-diol
CID 20715049
11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one
CID 18334599
2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]-6-(hydroxymethyl)phenol
CID 18334454
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine
CID 20715052

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The IUPAC name of 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (CID 18334572) is 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.
What is the SMILES notation for 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The canonical SMILES for 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is Cc1ccc2c(c1C)N(CCCN)c1cc(Cl)ccc1S2=O.
What is the InChIKey of 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The InChIKey is PLVIUIOSMLJDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-11-4-6-16-17(12(11)2)20(9-3-8-19)14-10-13(18)5-7-15(14)22(16)21/h4-7,10H,3,8-9,19H2,1-2H3.
What are the key properties of 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine has a molecular weight of 334.87 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is sourced from PubChem (CID 18334572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).