[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate

C7H13N3OS — CID 65212338

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
SMILES[H]/N=C(\N)SC(C)C(=O)NC1CC1
InChIInChI=1S/C7H13N3OS/c1-4(12-7(8)9)6(11)10-5-2-3-5/h4-5H,2-3H2,1H3,(H3,8,9)(H,10,11)
InChIKeySNVRWOBIAZWTKS-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.28
Rot. Bonds3

About [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate

[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate (PubChem CID 65212338) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
PubChem CID65212338
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
SMILES[H]/N=C(\N)SC(C)C(=O)NC1CC1
InChIInChI=1S/C7H13N3OS/c1-4(12-7(8)9)6(11)10-5-2-3-5/h4-5H,2-3H2,1H3,(H3,8,9)(H,10,11)
InChIKeySNVRWOBIAZWTKS-UHFFFAOYSA-N
XLogP0.28
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 71905093
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 94871924
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
1-hydroxyethyl carbamimidothioate
CID 19790650
(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 7415791
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate (CID 65212338) is [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate is [H]/N=C(\N)SC(C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate?
The InChIKey is SNVRWOBIAZWTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-4(12-7(8)9)6(11)10-5-2-3-5/h4-5H,2-3H2,1H3,(H3,8,9)(H,10,11).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate has a molecular weight of 187.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate is sourced from PubChem (CID 65212338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).