3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea

C9H19N3OS — CID 79160138

IUPAC3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
SMILESCCCC(NC(=O)N(C)CC)C(N)=S
InChIInChI=1S/C9H19N3OS/c1-4-6-7(8(10)14)11-9(13)12(3)5-2/h7H,4-6H2,1-3H3,(H2,10,14)(H,11,13)
InChIKeyCVRPYOVRNSAQNV-UHFFFAOYSA-N
MW217.34 g/mol
LogP1.10
Rot. Bonds5

About 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea

3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea (PubChem CID 79160138) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
PubChem CID79160138
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
SMILESCCCC(NC(=O)N(C)CC)C(N)=S
InChIInChI=1S/C9H19N3OS/c1-4-6-7(8(10)14)11-9(13)12(3)5-2/h7H,4-6H2,1-3H3,(H2,10,14)(H,11,13)
InChIKeyCVRPYOVRNSAQNV-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea 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-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-phenylbutanamide
CID 61120695
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea (CID 79160138) is 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea is CCCC(NC(=O)N(C)CC)C(N)=S.
What is the InChIKey of 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea?
The InChIKey is CVRPYOVRNSAQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-4-6-7(8(10)14)11-9(13)12(3)5-2/h7H,4-6H2,1-3H3,(H2,10,14)(H,11,13).
What are the key properties of 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea?
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea has a molecular weight of 217.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79160138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).