3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

C17H28ClN3O2S — CID 110290579

IUPAC3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC1CN(S(=O)(=O)c2ccccc2Cl)CC(C)N1CCCN(C)C
InChIInChI=1S/C17H28ClN3O2S/c1-14-12-20(13-15(2)21(14)11-7-10-19(3)4)24(22,23)17-9-6-5-8-16(17)18/h5-6,8-9,14-15H,7,10-13H2,1-4H3
InChIKeyZEXOZQSVMUHXDH-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.38
Rot. Bonds6

About 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 110290579) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID110290579
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC Name3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC1CN(S(=O)(=O)c2ccccc2Cl)CC(C)N1CCCN(C)C
InChIInChI=1S/C17H28ClN3O2S/c1-14-12-20(13-15(2)21(14)11-7-10-19(3)4)24(22,23)17-9-6-5-8-16(17)18/h5-6,8-9,14-15H,7,10-13H2,1-4H3
InChIKeyZEXOZQSVMUHXDH-UHFFFAOYSA-N
XLogP2.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 110290553
4-[[(2R,6S)-4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259778
1-(2-chlorophenyl)-4-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110629280
2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
CID 110290412
(3aR,6aS)-5-(2-chlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042402
(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
CID 161309919
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
[(2S,6R)-4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 142382086
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
2-[2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 110290431
8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 129269387

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 110290579) is 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is CC1CN(S(=O)(=O)c2ccccc2Cl)CC(C)N1CCCN(C)C.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZEXOZQSVMUHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2S/c1-14-12-20(13-15(2)21(14)11-7-10-19(3)4)24(22,23)17-9-6-5-8-16(17)18/h5-6,8-9,14-15H,7,10-13H2,1-4H3.
What are the key properties of 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 373.95 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 110290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).