2-(cyclopropylcarbamothioylamino)propanamide

C7H13N3OS — CID 116507427

IUPAC2-(cyclopropylcarbamothioylamino)propanamide
SMILESCC(NC(=S)NC1CC1)C(N)=O
InChIInChI=1S/C7H13N3OS/c1-4(6(8)11)9-7(12)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11)(H2,9,10,12)
InChIKeyJZEUGBWMRJAHPR-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.51
Rot. Bonds3

About 2-(cyclopropylcarbamothioylamino)propanamide

2-(cyclopropylcarbamothioylamino)propanamide (PubChem CID 116507427) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(cyclopropylcarbamothioylamino)propanamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamothioylamino)propanamide
PubChem CID116507427
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(cyclopropylcarbamothioylamino)propanamide
SMILESCC(NC(=S)NC1CC1)C(N)=O
InChIInChI=1S/C7H13N3OS/c1-4(6(8)11)9-7(12)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11)(H2,9,10,12)
InChIKeyJZEUGBWMRJAHPR-UHFFFAOYSA-N
XLogP-0.51
TPSA67.15 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 ≤ 5-0.51
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

N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
CID 106344676
2-(propan-2-ylcarbamothioylamino)propanamide
CID 116507425
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 60842858
1-but-3-en-2-yl-3-cyclopropylthiourea
CID 130832702
1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
CID 116509742
(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
CID 35935105

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamothioylamino)propanamide?
The IUPAC name of 2-(cyclopropylcarbamothioylamino)propanamide (CID 116507427) is 2-(cyclopropylcarbamothioylamino)propanamide.
What is the SMILES notation for 2-(cyclopropylcarbamothioylamino)propanamide?
The canonical SMILES for 2-(cyclopropylcarbamothioylamino)propanamide is CC(NC(=S)NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylcarbamothioylamino)propanamide?
The InChIKey is JZEUGBWMRJAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-4(6(8)11)9-7(12)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,11)(H2,9,10,12).
What are the key properties of 2-(cyclopropylcarbamothioylamino)propanamide?
2-(cyclopropylcarbamothioylamino)propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamothioylamino)propanamide is sourced from PubChem (CID 116507427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).