N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide

C12H21NO2S — CID 162284874

IUPACN-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCCC(=O)C1CCCC1
InChIInChI=1S/C12H21NO2S/c14-11(10-4-1-2-5-10)6-3-8-13-12(15)7-9-16/h10,16H,1-9H2,(H,13,15)
InChIKeyVPBFMOGORYCKCO-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.96
Rot. Bonds7

About N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide

N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide (PubChem CID 162284874) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide
PubChem CID162284874
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCCC(=O)C1CCCC1
InChIInChI=1S/C12H21NO2S/c14-11(10-4-1-2-5-10)6-3-8-13-12(15)7-9-16/h10,16H,1-9H2,(H,13,15)
InChIKeyVPBFMOGORYCKCO-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-sulfanylpropan-1-one
CID 116830831
1-cyclobutyl-3-sulfanylpropan-1-one
CID 89053234
N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 107035440
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
N-[7-[(2-cyclohexyl-2-oxoethyl)amino]-2,7-dioxoheptyl]cyclohexanecarboxamide
CID 58425951
N-(5-cyclobutyl-5-oxopentyl)-2,2-dimethylpropanamide
CID 15883436
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
CID 140659203
CID 140659203
1-cycloheptylpentan-1-one
CID 65399298
7-amino-1-cyclopentylheptan-1-one
CID 116551360
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide (CID 162284874) is N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide is O=C(CCS)NCCCC(=O)C1CCCC1.
What is the InChIKey of N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide?
The InChIKey is VPBFMOGORYCKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-11(10-4-1-2-5-10)6-3-8-13-12(15)7-9-16/h10,16H,1-9H2,(H,13,15).
What are the key properties of N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide?
N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide has a molecular weight of 243.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-4-oxobutyl)-3-sulfanylpropanamide is sourced from PubChem (CID 162284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).