1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide

C13H22N2OS — CID 107418708

IUPAC1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CCCC1CNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H22N2OS/c1-9-4-2-5-10(9)8-15-12(16)13(11(14)17)6-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyBWAPWZWCJQFKKH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.00
Rot. Bonds4

About 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide

1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide (PubChem CID 107418708) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
PubChem CID107418708
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CCCC1CNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H22N2OS/c1-9-4-2-5-10(9)8-15-12(16)13(11(14)17)6-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyBWAPWZWCJQFKKH-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
(2-methylcyclopentyl)methylurea
CID 107417745
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
CID 80590816
1-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclopentane-1-carboxamide
CID 81038821
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide (CID 107418708) is 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide is CC1CCCC1CNC(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is BWAPWZWCJQFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-4-2-5-10(9)8-15-12(16)13(11(14)17)6-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide?
1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 107418708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).