1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea

C12H23N3S — CID 115614032

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea
SMILESCN(CCNC(=S)NC1CC1)C1CCCC1
InChIInChI=1S/C12H23N3S/c1-15(11-4-2-3-5-11)9-8-13-12(16)14-10-6-7-10/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyDGRRJQQCWLXEDA-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea

1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea (PubChem CID 115614032) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea
PubChem CID115614032
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea
SMILESCN(CCNC(=S)NC1CC1)C1CCCC1
InChIInChI=1S/C12H23N3S/c1-15(11-4-2-3-5-11)9-8-13-12(16)14-10-6-7-10/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyDGRRJQQCWLXEDA-UHFFFAOYSA-N
XLogP1.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea 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

1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
1-cyclopropyl-3-[4-[methyl(propan-2-yl)amino]butyl]thiourea
CID 115594319
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
1-cyclopropyl-3-pentylthiourea
CID 19650722
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea (CID 115614032) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea is CN(CCNC(=S)NC1CC1)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea?
The InChIKey is DGRRJQQCWLXEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-15(11-4-2-3-5-11)9-8-13-12(16)14-10-6-7-10/h10-11H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea?
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea has a molecular weight of 241.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea is sourced from PubChem (CID 115614032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).