N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine

C12H25NS — CID 81387495

IUPACN-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H25NS/c1-11(13-9-6-10-14-2)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyLZAWTBRPHNRQGQ-NSHDSACASA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds6

About N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine

N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 81387495) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
PubChem CID81387495
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H25NS/c1-11(13-9-6-10-14-2)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyLZAWTBRPHNRQGQ-NSHDSACASA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-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-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine (CID 81387495) is N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine is CSCCCN[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is LZAWTBRPHNRQGQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NS/c1-11(13-9-6-10-14-2)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine?
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 81387495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).