(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol

C17H19Cl2NOS — CID 7222054

IUPAC(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESC[C@](O)(CNCc1cccc(Cl)c1)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NOS/c1-17(21,12-22-16-7-5-14(18)6-8-16)11-20-10-13-3-2-4-15(19)9-13/h2-9,20-21H,10-12H2,1H3/t17-/m0/s1
InChIKeyNOWSUNYLXMJGOL-KRWDZBQOSA-N
MW356.32 g/mol
LogP4.63
Rot. Bonds7

About (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol

(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 7222054) has the molecular formula C17H19Cl2NOS and a molecular weight of 356.32 g/mol. Its IUPAC name is (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID7222054
Molecular FormulaC17H19Cl2NOS
Molecular Weight356.32 g/mol
Exact Mass355.06
IUPAC Name(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESC[C@](O)(CNCc1cccc(Cl)c1)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NOS/c1-17(21,12-22-16-7-5-14(18)6-8-16)11-20-10-13-3-2-4-15(19)9-13/h2-9,20-21H,10-12H2,1H3/t17-/m0/s1
InChIKeyNOWSUNYLXMJGOL-KRWDZBQOSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-chlorophenyl)methylamino]-3-(3-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 7222061
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
CID 62059723
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
1-[(4-chlorophenyl)methylamino]-2-methylpropan-2-ol
CID 60885282
3-[[[3-(3-chlorophenyl)-2,2-dimethylpropyl]amino]methyl]benzoic acid
CID 122031915
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497063

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol (CID 7222054) is (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol is C[C@](O)(CNCc1cccc(Cl)c1)CSc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is NOWSUNYLXMJGOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19Cl2NOS/c1-17(21,12-22-16-7-5-14(18)6-8-16)11-20-10-13-3-2-4-15(19)9-13/h2-9,20-21H,10-12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 356.32 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 7222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).