(N'-benzylsulfanylcarbamimidoyl)urea

C9H12N4OS — CID 154427423

IUPAC(N'-benzylsulfanylcarbamimidoyl)urea
SMILESNC(=O)NC(N)=NSCc1ccccc1
InChIInChI=1S/C9H12N4OS/c10-8(12-9(11)14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,10,11,12,13,14)
InChIKeyGJICCWBSGWHBHO-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.82
Rot. Bonds3

About (N'-benzylsulfanylcarbamimidoyl)urea

(N'-benzylsulfanylcarbamimidoyl)urea (PubChem CID 154427423) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is (N'-benzylsulfanylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N'-benzylsulfanylcarbamimidoyl)urea
PubChem CID154427423
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name(N'-benzylsulfanylcarbamimidoyl)urea
SMILESNC(=O)NC(N)=NSCc1ccccc1
InChIInChI=1S/C9H12N4OS/c10-8(12-9(11)14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,10,11,12,13,14)
InChIKeyGJICCWBSGWHBHO-UHFFFAOYSA-N
XLogP0.82
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.82
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (N'-benzylsulfanylcarbamimidoyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(N'-phenylsulfanylcarbamimidoyl)urea
CID 154427424
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
acetic acid;benzylsulfanylmethylbenzene;guanidine
CID 174558174
2-phenylethyl N-carbamoylcarbamate
CID 3027882
N-[N'-(2-benzylsulfanylethyl)carbamimidoyl]naphthalene-1-carboxamide
CID 22149303
benzene;benzylurea;hydrazine
CID 68793593
3-benzylsulfanyl-3-oxopropanoic acid
CID 11816634
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
CID 174417066
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
benzyl N-(carbamoylamino)carbamate
CID 141421180
N-carbamoylbenzamide;urea
CID 157303801

Frequently Asked Questions

What is the IUPAC name of (N'-benzylsulfanylcarbamimidoyl)urea?
The IUPAC name of (N'-benzylsulfanylcarbamimidoyl)urea (CID 154427423) is (N'-benzylsulfanylcarbamimidoyl)urea.
What is the SMILES notation for (N'-benzylsulfanylcarbamimidoyl)urea?
The canonical SMILES for (N'-benzylsulfanylcarbamimidoyl)urea is NC(=O)NC(N)=NSCc1ccccc1.
What is the InChIKey of (N'-benzylsulfanylcarbamimidoyl)urea?
The InChIKey is GJICCWBSGWHBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c10-8(12-9(11)14)13-15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,10,11,12,13,14).
What are the key properties of (N'-benzylsulfanylcarbamimidoyl)urea?
(N'-benzylsulfanylcarbamimidoyl)urea has a molecular weight of 224.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N'-benzylsulfanylcarbamimidoyl)urea is sourced from PubChem (CID 154427423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).