1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide

C14H24N2OS — CID 114107998

IUPAC1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2(C(N)=S)CCCCC2)CCC1
InChIInChI=1S/C14H24N2OS/c1-13(6-5-7-13)10-16-12(17)14(11(15)18)8-3-2-4-9-14/h2-10H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNSLFCSYLFAOHOR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.53
Rot. Bonds4

About 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide

1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide (PubChem CID 114107998) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
PubChem CID114107998
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2(C(N)=S)CCCCC2)CCC1
InChIInChI=1S/C14H24N2OS/c1-13(6-5-7-13)10-16-12(17)14(11(15)18)8-3-2-4-9-14/h2-10H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNSLFCSYLFAOHOR-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.53
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-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
1-carbamothioyl-N-(3-ethylpentan-3-yl)cycloheptane-1-carboxamide
CID 65043403
1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
1-carbamothioyl-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 62694585
1-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63958055
1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
CID 113494789
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]oxane-4-carboxamide
CID 105418006

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide (CID 114107998) is 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide is CC1(CNC(=O)C2(C(N)=S)CCCCC2)CCC1.
What is the InChIKey of 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NSLFCSYLFAOHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(6-5-7-13)10-16-12(17)14(11(15)18)8-3-2-4-9-14/h2-10H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide?
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114107998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).