(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine

C19H25NS — CID 134959712

IUPAC(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
SMILESCC[C@@H]([C@@H](SCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3/t18-,19-/m0/s1
InChIKeyCUYULCXSUHOIQD-OALUTQOASA-N
MW299.48 g/mol
LogP5.00
Rot. Bonds7

About (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine

(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine (PubChem CID 134959712) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
PubChem CID134959712
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
SMILESCC[C@@H]([C@@H](SCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3/t18-,19-/m0/s1
InChIKeyCUYULCXSUHOIQD-OALUTQOASA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-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

N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
Demelverine
CID 65608
Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
(1-Benzyl-butyl)-dimethyl-(3-phenyl-propyl)-ammonium
CID 10048702
Methyl-((R)-1-methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 10107042
Methyl-((S)-1-methyl-2-phenyl-ethyl)-phenethyl-amine
CID 10467461
N-methyl-5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine
CID 14831240
Methyl-((R)-1-methyl-2-phenyl-ethyl)-phenethyl-amine
CID 44273058
N,alpha,alpha'-trimethyldiphenethylamine
CID 191286
Win 1161-3
CID 113831
Piperidine, 1-(2-((diphenylmethyl)thio)ethyl)-
CID 202023

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The IUPAC name of (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine (CID 134959712) is (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine.
What is the SMILES notation for (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The canonical SMILES for (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine is CC[C@@H]([C@@H](SCc1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
The InChIKey is CUYULCXSUHOIQD-OALUTQOASA-N. The full InChI is InChI=1S/C19H25NS/c1-4-18(20(2)3)19(17-13-9-6-10-14-17)21-15-16-11-7-5-8-12-16/h5-14,18-19H,4,15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine?
(1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 134959712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).