N-(1-carbamothioylcyclohexyl)-4-methylpentanamide

C13H24N2OS — CID 61121329

IUPACN-(1-carbamothioylcyclohexyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(2)6-7-11(16)15-13(12(14)17)8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyPOTOJZILUYWOHS-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.53
Rot. Bonds5

About N-(1-carbamothioylcyclohexyl)-4-methylpentanamide

N-(1-carbamothioylcyclohexyl)-4-methylpentanamide (PubChem CID 61121329) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-4-methylpentanamide
PubChem CID61121329
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-carbamothioylcyclohexyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(2)6-7-11(16)15-13(12(14)17)8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyPOTOJZILUYWOHS-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
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

N-(1-carbamothioyl-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61119158
N-(1-carbamothioylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65712358
N-(1-carbamothioyl-4-methylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65712359
N-(1-carbamothioyl-4-ethylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65712360
N-(3-carbamothioylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931250
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931304
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931305
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931323
N-(1-carbamothioylcyclopentyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931450
N-(1-carbamothioylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931469
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931487
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931503

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-4-methylpentanamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-4-methylpentanamide (CID 61121329) is N-(1-carbamothioylcyclohexyl)-4-methylpentanamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-4-methylpentanamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-4-methylpentanamide is CC(C)CCC(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-4-methylpentanamide?
The InChIKey is POTOJZILUYWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(2)6-7-11(16)15-13(12(14)17)8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-carbamothioylcyclohexyl)-4-methylpentanamide?
N-(1-carbamothioylcyclohexyl)-4-methylpentanamide has a molecular weight of 256.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 61121329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).