2-(cyclopentylcarbamothioylamino)-N-methylacetamide

C9H17N3OS — CID 116507386

IUPAC2-(cyclopentylcarbamothioylamino)-N-methylacetamide
SMILESCNC(=O)CNC(=S)NC1CCCC1
InChIInChI=1S/C9H17N3OS/c1-10-8(13)6-11-9(14)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyZFTXXIOFKKYDTF-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.14
Rot. Bonds3

About 2-(cyclopentylcarbamothioylamino)-N-methylacetamide

2-(cyclopentylcarbamothioylamino)-N-methylacetamide (PubChem CID 116507386) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(cyclopentylcarbamothioylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopentylcarbamothioylamino)-N-methylacetamide
PubChem CID116507386
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-(cyclopentylcarbamothioylamino)-N-methylacetamide
SMILESCNC(=O)CNC(=S)NC1CCCC1
InChIInChI=1S/C9H17N3OS/c1-10-8(13)6-11-9(14)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyZFTXXIOFKKYDTF-UHFFFAOYSA-N
XLogP0.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.14
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-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
1-cyclooctyl-3-propylthiourea
CID 19650537
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119759466
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
2-(cyclohexylcarbamoylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 47412250
N-(cyclohexylcarbamothioyl)octanamide
CID 4958923

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamothioylamino)-N-methylacetamide?
The IUPAC name of 2-(cyclopentylcarbamothioylamino)-N-methylacetamide (CID 116507386) is 2-(cyclopentylcarbamothioylamino)-N-methylacetamide.
What is the SMILES notation for 2-(cyclopentylcarbamothioylamino)-N-methylacetamide?
The canonical SMILES for 2-(cyclopentylcarbamothioylamino)-N-methylacetamide is CNC(=O)CNC(=S)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylcarbamothioylamino)-N-methylacetamide?
The InChIKey is ZFTXXIOFKKYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-10-8(13)6-11-9(14)12-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of 2-(cyclopentylcarbamothioylamino)-N-methylacetamide?
2-(cyclopentylcarbamothioylamino)-N-methylacetamide has a molecular weight of 215.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamothioylamino)-N-methylacetamide is sourced from PubChem (CID 116507386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).