1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide

C15H28N2OS — CID 63836744

IUPAC1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C15H28N2OS/c1-4-12(5-2)11(3)17-14(18)15(13(16)19)9-7-6-8-10-15/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyPSSUPZHPAKMNCV-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.16
Rot. Bonds6

About 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide (PubChem CID 63836744) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
PubChem CID63836744
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C15H28N2OS/c1-4-12(5-2)11(3)17-14(18)15(13(16)19)9-7-6-8-10-15/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyPSSUPZHPAKMNCV-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.16
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-(2-methylbutyl)cyclopentane-1-carboxamide
CID 62694585
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 104828379
1-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cycloheptane-1-carboxamide
CID 103110390
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-carbamothioyl-N-octan-4-ylcycloheptane-1-carboxamide
CID 106023670
1-carbamothioyl-N-(3-ethylpentan-3-yl)cycloheptane-1-carboxamide
CID 65043403
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
1-carbamothioyl-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
CID 80589978
methyl 2-[(1-carbamothioylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 80589000

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide (CID 63836744) is 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide is CCC(CC)C(C)NC(=O)C1(C(N)=S)CCCCC1.
What is the InChIKey of 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is PSSUPZHPAKMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-12(5-2)11(3)17-14(18)15(13(16)19)9-7-6-8-10-15/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63836744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).