1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide

C16H22N2O2S — CID 62379855

IUPAC1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCCOc2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O2S/c17-14(21)16(9-4-5-10-16)15(19)18-11-6-12-20-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H2,17,21)(H,18,19)
InChIKeyVQQAKIUMSFNXML-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.42
Rot. Bonds7

About 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide (PubChem CID 62379855) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
PubChem CID62379855
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCCOc2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O2S/c17-14(21)16(9-4-5-10-16)15(19)18-11-6-12-20-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H2,17,21)(H,18,19)
InChIKeyVQQAKIUMSFNXML-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
CID 80597497
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
1-carbamothioyl-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106009983

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide (CID 62379855) is 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide is NC(=S)C1(C(=O)NCCCOc2ccccc2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
The InChIKey is VQQAKIUMSFNXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-14(21)16(9-4-5-10-16)15(19)18-11-6-12-20-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H2,17,21)(H,18,19).
What are the key properties of 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 62379855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).