2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide

C13H25N3OS — CID 49154483

IUPAC2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=S)NC1CCCCC1
InChIInChI=1S/C13H25N3OS/c1-10(2)8-14-12(17)9-15-13(18)16-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyPMMKUIXUXFMDIT-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.56
Rot. Bonds5

About 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide

2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide (PubChem CID 49154483) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
PubChem CID49154483
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=S)NC1CCCCC1
InChIInChI=1S/C13H25N3OS/c1-10(2)8-14-12(17)9-15-13(18)16-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyPMMKUIXUXFMDIT-UHFFFAOYSA-N
XLogP1.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
CID 116657767
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221
2-(cyclohexylcarbamoylamino)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829409
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide (CID 49154483) is 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=S)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is PMMKUIXUXFMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10(2)8-14-12(17)9-15-13(18)16-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide?
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 271.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 49154483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).