4-methyl-1-phenylsulfanylpentan-2-amine

C12H19NS — CID 65142507

IUPAC4-methyl-1-phenylsulfanylpentan-2-amine
SMILESCC(C)CC(N)CSc1ccccc1
InChIInChI=1S/C12H19NS/c1-10(2)8-11(13)9-14-12-6-4-3-5-7-12/h3-7,10-11H,8-9,13H2,1-2H3
InChIKeyUKZBOBZOLMMJHF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.15
Rot. Bonds5

About 4-methyl-1-phenylsulfanylpentan-2-amine

4-methyl-1-phenylsulfanylpentan-2-amine (PubChem CID 65142507) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-methyl-1-phenylsulfanylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-phenylsulfanylpentan-2-amine
PubChem CID65142507
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-methyl-1-phenylsulfanylpentan-2-amine
SMILESCC(C)CC(N)CSc1ccccc1
InChIInChI=1S/C12H19NS/c1-10(2)8-11(13)9-14-12-6-4-3-5-7-12/h3-7,10-11H,8-9,13H2,1-2H3
InChIKeyUKZBOBZOLMMJHF-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-phenylsulfanylpentan-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-phenylsulfanylbutan-2-amine
CID 24973194
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
N-methylmethanamine;4-phenylsulfanylbutane-1,3-diamine
CID 66723752
1-phenylsulfanylhex-4-yn-2-amine
CID 65141839
(3R)-1-N,1-N-dimethyl-4-phenylsulfanylbutane-1,3-diamine
CID 58080194
1-ethoxy-3-phenylsulfanylpropan-2-amine
CID 79573957
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65142021
6,6-dimethyl-1-phenylsulfanylhept-4-yn-2-amine
CID 114190278
5-phenyl-1-phenylsulfanylpentan-2-amine
CID 65141833

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylsulfanylpentan-2-amine?
The IUPAC name of 4-methyl-1-phenylsulfanylpentan-2-amine (CID 65142507) is 4-methyl-1-phenylsulfanylpentan-2-amine.
What is the SMILES notation for 4-methyl-1-phenylsulfanylpentan-2-amine?
The canonical SMILES for 4-methyl-1-phenylsulfanylpentan-2-amine is CC(C)CC(N)CSc1ccccc1.
What is the InChIKey of 4-methyl-1-phenylsulfanylpentan-2-amine?
The InChIKey is UKZBOBZOLMMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)8-11(13)9-14-12-6-4-3-5-7-12/h3-7,10-11H,8-9,13H2,1-2H3.
What are the key properties of 4-methyl-1-phenylsulfanylpentan-2-amine?
4-methyl-1-phenylsulfanylpentan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylsulfanylpentan-2-amine is sourced from PubChem (CID 65142507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).