(2S)-2-(sulfanylamino)hexanamide

C6H14N2OS — CID 142110567

IUPAC(2S)-2-(sulfanylamino)hexanamide
SMILESCCCC[C@H](NS)C(N)=O
InChIInChI=1S/C6H14N2OS/c1-2-3-4-5(8-10)6(7)9/h5,8,10H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1
InChIKeyPIFIPNGMGVIKJH-YFKPBYRVSA-N
MW162.26 g/mol
LogP0.46
Rot. Bonds5

About (2S)-2-(sulfanylamino)hexanamide

(2S)-2-(sulfanylamino)hexanamide (PubChem CID 142110567) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is (2S)-2-(sulfanylamino)hexanamide.

Molecular Properties

Compound Name(2S)-2-(sulfanylamino)hexanamide
PubChem CID142110567
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-(sulfanylamino)hexanamide
SMILESCCCC[C@H](NS)C(N)=O
InChIInChI=1S/C6H14N2OS/c1-2-3-4-5(8-10)6(7)9/h5,8,10H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1
InChIKeyPIFIPNGMGVIKJH-YFKPBYRVSA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(sulfanylamino)hexanamide 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

2-methylhexanamide
CID 2828737
2-methylheptanamide;2-methylhexanamide
CID 160718848
4-(sulfanylamino)nonan-3-one
CID 146693452
2-(propylamino)nonanamide
CID 60796532
2-(tridecylamino)octanamide
CID 154123950
2-(propylamino)octanamide
CID 60795649
2-butylpropanediamide
CID 2317243
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
2,9-dibutyldecanediamide
CID 141080467
ethyl 2-methylhexanoate
CID 12714009
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-propylhexanamide
CID 19818979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(sulfanylamino)hexanamide?
The IUPAC name of (2S)-2-(sulfanylamino)hexanamide (CID 142110567) is (2S)-2-(sulfanylamino)hexanamide.
What is the SMILES notation for (2S)-2-(sulfanylamino)hexanamide?
The canonical SMILES for (2S)-2-(sulfanylamino)hexanamide is CCCC[C@H](NS)C(N)=O.
What is the InChIKey of (2S)-2-(sulfanylamino)hexanamide?
The InChIKey is PIFIPNGMGVIKJH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-3-4-5(8-10)6(7)9/h5,8,10H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(sulfanylamino)hexanamide?
(2S)-2-(sulfanylamino)hexanamide has a molecular weight of 162.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(sulfanylamino)hexanamide is sourced from PubChem (CID 142110567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).