1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea

C7H13N3OS — CID 62698544

IUPAC1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea
SMILESNC(=S)CCNC(=O)NC1CC1
InChIInChI=1S/C7H13N3OS/c8-6(12)3-4-9-7(11)10-5-1-2-5/h5H,1-4H2,(H2,8,12)(H2,9,10,11)
InChIKeyXYEAKTKXUVKSRC-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.12
Rot. Bonds4

About 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea

1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea (PubChem CID 62698544) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea
PubChem CID62698544
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea
SMILESNC(=S)CCNC(=O)NC1CC1
InChIInChI=1S/C7H13N3OS/c8-6(12)3-4-9-7(11)10-5-1-2-5/h5H,1-4H2,(H2,8,12)(H2,9,10,11)
InChIKeyXYEAKTKXUVKSRC-UHFFFAOYSA-N
XLogP0.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.12
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

1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 79401014
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea (CID 62698544) is 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea is NC(=S)CCNC(=O)NC1CC1.
What is the InChIKey of 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea?
The InChIKey is XYEAKTKXUVKSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-6(12)3-4-9-7(11)10-5-1-2-5/h5H,1-4H2,(H2,8,12)(H2,9,10,11).
What are the key properties of 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea?
1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea has a molecular weight of 187.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea is sourced from PubChem (CID 62698544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).