3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea

C10H14N2S2 — CID 115570921

IUPAC3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCN(Cc1cccs1)C(=S)NC1CC1
InChIInChI=1S/C10H14N2S2/c1-12(7-9-3-2-6-14-9)10(13)11-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,13)
InChIKeyMOEGFAPOWYOMGG-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.22
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea

3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 115570921) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID115570921
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCN(Cc1cccs1)C(=S)NC1CC1
InChIInChI=1S/C10H14N2S2/c1-12(7-9-3-2-6-14-9)10(13)11-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,13)
InChIKeyMOEGFAPOWYOMGG-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)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-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115570920
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
3-cyclopropyl-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 9284117
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
3-cyclooctyl-1-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 17065699
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea (CID 115570921) is 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea is CN(Cc1cccs1)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is MOEGFAPOWYOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-12(7-9-3-2-6-14-9)10(13)11-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 226.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 115570921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).