3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol

C11H16ClNOS — CID 64807962

IUPAC3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNOS/c1-11(7-14,13-2)8-15-10-5-3-4-9(12)6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyPTMJLZTUOQPZHQ-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.40
Rot. Bonds5

About 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol

3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64807962) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64807962
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNOS/c1-11(7-14,13-2)8-15-10-5-3-4-9(12)6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyPTMJLZTUOQPZHQ-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol 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

4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
2-amino-3-(3-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 62647550
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
CID 64820200
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
CID 115480492
methyl 3-(3-chlorophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63919465
(2R)-1-[(4-chlorophenyl)methylamino]-3-(3-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 7222061
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
CID 62647702
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
methyl 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 55101563
ethyl 4-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)butanoate
CID 62645802
6-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)hexanenitrile
CID 62647233

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol (CID 64807962) is 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)CSc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is PTMJLZTUOQPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-11(7-14,13-2)8-15-10-5-3-4-9(12)6-10/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol?
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 245.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).