1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea

C11H20N2S2 — CID 103727711

IUPAC1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
SMILESCCSC1CCCC1NC(=S)NC1CC1
InChIInChI=1S/C11H20N2S2/c1-2-15-10-5-3-4-9(10)13-11(14)12-8-6-7-8/h8-10H,2-7H2,1H3,(H2,12,13,14)
InChIKeyMHZIPSMSAYPFFJ-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.29
Rot. Bonds4

About 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea

1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea (PubChem CID 103727711) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
PubChem CID103727711
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
SMILESCCSC1CCCC1NC(=S)NC1CC1
InChIInChI=1S/C11H20N2S2/c1-2-15-10-5-3-4-9(10)13-11(14)12-8-6-7-8/h8-10H,2-7H2,1H3,(H2,12,13,14)
InChIKeyMHZIPSMSAYPFFJ-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea 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

3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide
CID 114121583
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
2-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylpentanamide
CID 103812914
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea (CID 103727711) is 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea is CCSC1CCCC1NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea?
The InChIKey is MHZIPSMSAYPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-2-15-10-5-3-4-9(10)13-11(14)12-8-6-7-8/h8-10H,2-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea?
1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea has a molecular weight of 244.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea is sourced from PubChem (CID 103727711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).