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

C14H19N3OS — CID 107653524

IUPAC1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
SMILESNC(=S)CCN(C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C14H19N3OS/c15-13(19)8-9-17(12-6-7-12)14(18)16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,19)(H,16,18)
InChIKeyANEUKKCVNLOYJT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.04
Rot. Bonds6

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

1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea (PubChem CID 107653524) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
PubChem CID107653524
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
SMILESNC(=S)CCN(C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C14H19N3OS/c15-13(19)8-9-17(12-6-7-12)14(18)16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,19)(H,16,18)
InChIKeyANEUKKCVNLOYJT-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-3-sulfanylidenepropyl)-1-cyclopropyl-3-phenylurea
CID 54996612
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
CID 54996606
1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
CID 146064929
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
3-benzyl-1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 108871318
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 54996507
4-[[[cyclopropyl(4-hydroxybutyl)carbamoyl]amino]methyl]benzoic acid
CID 122020291
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 54996464

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea?
The IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea (CID 107653524) is 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea.
What is the SMILES notation for 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea?
The canonical SMILES for 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea is NC(=S)CCN(C(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea?
The InChIKey is ANEUKKCVNLOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-13(19)8-9-17(12-6-7-12)14(18)16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,19)(H,16,18).
What are the key properties of 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea?
1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea has a molecular weight of 277.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea is sourced from PubChem (CID 107653524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).