1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine

C12H18ClNS — CID 66147051

IUPAC1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)12(14-3)8-15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyZNJJSQNTQFMPKI-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.68
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine

1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine (PubChem CID 66147051) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
PubChem CID66147051
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClNS/c1-9(2)12(14-3)8-15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyZNJJSQNTQFMPKI-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970
1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932219
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176064

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine (CID 66147051) is 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine is CNC(CSc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine?
The InChIKey is ZNJJSQNTQFMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-9(2)12(14-3)8-15-11-6-4-5-10(13)7-11/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine?
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine has a molecular weight of 243.80 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 66147051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).