N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide

C15H29NOS — CID 142228883

IUPACN-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide
SMILESCCCCC1CCC(CNC(=O)CC(C)S)CC1
InChIInChI=1S/C15H29NOS/c1-3-4-5-13-6-8-14(9-7-13)11-16-15(17)10-12(2)18/h12-14,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyROLLOABINUVING-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.81
Rot. Bonds7

About N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide

N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide (PubChem CID 142228883) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide
PubChem CID142228883
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide
SMILESCCCCC1CCC(CNC(=O)CC(C)S)CC1
InChIInChI=1S/C15H29NOS/c1-3-4-5-13-6-8-14(9-7-13)11-16-15(17)10-12(2)18/h12-14,18H,3-11H2,1-2H3,(H,16,17)
InChIKeyROLLOABINUVING-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide?
The IUPAC name of N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide (CID 142228883) is N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide.
What is the SMILES notation for N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide?
The canonical SMILES for N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide is CCCCC1CCC(CNC(=O)CC(C)S)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide?
The InChIKey is ROLLOABINUVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-4-5-13-6-8-14(9-7-13)11-16-15(17)10-12(2)18/h12-14,18H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide?
N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide has a molecular weight of 271.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)methyl]-3-sulfanylbutanamide is sourced from PubChem (CID 142228883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).