1-cyclopentyl-3-(3-methylbutyl)thiourea

C11H22N2S — CID 899489

IUPAC1-cyclopentyl-3-(3-methylbutyl)thiourea
SMILESCC(C)CCNC(=S)NC1CCCC1
InChIInChI=1S/C11H22N2S/c1-9(2)7-8-12-11(14)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyZLOYQVOUZNZCGV-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.44
Rot. Bonds4

About 1-cyclopentyl-3-(3-methylbutyl)thiourea

1-cyclopentyl-3-(3-methylbutyl)thiourea (PubChem CID 899489) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylbutyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methylbutyl)thiourea
PubChem CID899489
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-cyclopentyl-3-(3-methylbutyl)thiourea
SMILESCC(C)CCNC(=S)NC1CCCC1
InChIInChI=1S/C11H22N2S/c1-9(2)7-8-12-11(14)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyZLOYQVOUZNZCGV-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-(3-methylbutyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylbutyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(3-methylbutyl)thiourea (CID 899489) is 1-cyclopentyl-3-(3-methylbutyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methylbutyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(3-methylbutyl)thiourea is CC(C)CCNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-methylbutyl)thiourea?
The InChIKey is ZLOYQVOUZNZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)7-8-12-11(14)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-cyclopentyl-3-(3-methylbutyl)thiourea?
1-cyclopentyl-3-(3-methylbutyl)thiourea has a molecular weight of 214.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methylbutyl)thiourea is sourced from PubChem (CID 899489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).