N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide

C15H29NOS — CID 123720688

IUPACN-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide
SMILESCCC(CC)(NC(=O)CCCS)C1CCCCC1
InChIInChI=1S/C15H29NOS/c1-3-15(4-2,13-9-6-5-7-10-13)16-14(17)11-8-12-18/h13,18H,3-12H2,1-2H3,(H,16,17)
InChIKeyVJZPYZNKCWLMRL-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.95
Rot. Bonds7

About N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide

N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide (PubChem CID 123720688) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide
PubChem CID123720688
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide
SMILESCCC(CC)(NC(=O)CCCS)C1CCCCC1
InChIInChI=1S/C15H29NOS/c1-3-15(4-2,13-9-6-5-7-10-13)16-14(17)11-8-12-18/h13,18H,3-12H2,1-2H3,(H,16,17)
InChIKeyVJZPYZNKCWLMRL-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(p-menth-8-yl)propionamide
CID 92000227
N-(2-cyclohexylpropan-2-yl)acetamide
CID 89770370
N-(1-propan-2-ylcyclohexyl)acetamide
CID 58443473
2-methyl-N-(1-propan-2-ylcyclohexyl)propanamide
CID 58443477
N-[(2R)-2-cyclohexyl-3-methylbutan-2-yl]acetamide
CID 58443481
N-(1-propan-2-ylcyclohexyl)butanamide
CID 58443498
2-tert-butyl-4,4-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
CID 88914151
2-tert-butyl-4-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)pentanamide
CID 89161980
3-methyl-N-(1-propan-2-ylcyclohexyl)butanamide
CID 89691955
N-(1-ethylcyclohexyl)-3-methylbutanamide
CID 130457117
N-(3-cyclohexylpentan-3-yl)acetamide
CID 138492354
N-(2-cyclohexylpropan-2-yl)propanamide
CID 145797855

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide?
The IUPAC name of N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide (CID 123720688) is N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide.
What is the SMILES notation for N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide?
The canonical SMILES for N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide is CCC(CC)(NC(=O)CCCS)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide?
The InChIKey is VJZPYZNKCWLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-15(4-2,13-9-6-5-7-10-13)16-14(17)11-8-12-18/h13,18H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide?
N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide has a molecular weight of 271.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide is sourced from PubChem (CID 123720688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).