N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide

C16H32N2O2S — CID 88638536

IUPACN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
SMILESCCCC(S)C(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-6-15(21)16(20)18-10-9-14(19)13(17)11-12-7-4-3-5-8-12/h12-15,19,21H,2-11,17H2,1H3,(H,18,20)/t13-,14-,15?/m0/s1
InChIKeyJWQRCTJOKYEUAX-ZYOSVBKOSA-N
MW316.51 g/mol
LogP2.25
Rot. Bonds9

About N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide

N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide (PubChem CID 88638536) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
PubChem CID88638536
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
SMILESCCCC(S)C(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-6-15(21)16(20)18-10-9-14(19)13(17)11-12-7-4-3-5-8-12/h12-15,19,21H,2-11,17H2,1H3,(H,18,20)/t13-,14-,15?/m0/s1
InChIKeyJWQRCTJOKYEUAX-ZYOSVBKOSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide 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

(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
CID 58964082
(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 58964067
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
CID 57462032
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide?
The IUPAC name of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide (CID 88638536) is N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide.
What is the SMILES notation for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide?
The canonical SMILES for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide is CCCC(S)C(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide?
The InChIKey is JWQRCTJOKYEUAX-ZYOSVBKOSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-2-6-15(21)16(20)18-10-9-14(19)13(17)11-12-7-4-3-5-8-12/h12-15,19,21H,2-11,17H2,1H3,(H,18,20)/t13-,14-,15?/m0/s1.
What are the key properties of N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide?
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide has a molecular weight of 316.51 g/mol, XLogP of 2.25, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide is sourced from PubChem (CID 88638536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).