2-(cyclopropylcarbamothioylamino)-N-methylacetamide

C7H13N3OS — CID 115571221

IUPAC2-(cyclopropylcarbamothioylamino)-N-methylacetamide
SMILESCNC(=O)CNC(=S)NC1CC1
InChIInChI=1S/C7H13N3OS/c1-8-6(11)4-9-7(12)10-5-2-3-5/h5H,2-4H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyVZSSSZXHXWGBLL-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.64
Rot. Bonds3

About 2-(cyclopropylcarbamothioylamino)-N-methylacetamide

2-(cyclopropylcarbamothioylamino)-N-methylacetamide (PubChem CID 115571221) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(cyclopropylcarbamothioylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamothioylamino)-N-methylacetamide
PubChem CID115571221
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(cyclopropylcarbamothioylamino)-N-methylacetamide
SMILESCNC(=O)CNC(=S)NC1CC1
InChIInChI=1S/C7H13N3OS/c1-8-6(11)4-9-7(12)10-5-2-3-5/h5H,2-4H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyVZSSSZXHXWGBLL-UHFFFAOYSA-N
XLogP-0.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.64
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-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
CID 115593532
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
N-(2-bromophenyl)-2-(cyclopropylcarbamothioylamino)acetamide
CID 8788464
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
CID 115647000

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamothioylamino)-N-methylacetamide?
The IUPAC name of 2-(cyclopropylcarbamothioylamino)-N-methylacetamide (CID 115571221) is 2-(cyclopropylcarbamothioylamino)-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylcarbamothioylamino)-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylcarbamothioylamino)-N-methylacetamide is CNC(=O)CNC(=S)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamothioylamino)-N-methylacetamide?
The InChIKey is VZSSSZXHXWGBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-8-6(11)4-9-7(12)10-5-2-3-5/h5H,2-4H2,1H3,(H,8,11)(H2,9,10,12).
What are the key properties of 2-(cyclopropylcarbamothioylamino)-N-methylacetamide?
2-(cyclopropylcarbamothioylamino)-N-methylacetamide has a molecular weight of 187.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamothioylamino)-N-methylacetamide is sourced from PubChem (CID 115571221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).