1-benzyl-3-cyclopentyl-1-methylthiourea

C14H20N2S — CID 116507158

IUPAC1-benzyl-3-cyclopentyl-1-methylthiourea
SMILESCN(Cc1ccccc1)C(=S)NC1CCCC1
InChIInChI=1S/C14H20N2S/c1-16(11-12-7-3-2-4-8-12)14(17)15-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyWNYDUYWDJNXRFM-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.94
Rot. Bonds3

About 1-benzyl-3-cyclopentyl-1-methylthiourea

1-benzyl-3-cyclopentyl-1-methylthiourea (PubChem CID 116507158) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-benzyl-3-cyclopentyl-1-methylthiourea.

Molecular Properties

Compound Name1-benzyl-3-cyclopentyl-1-methylthiourea
PubChem CID116507158
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-benzyl-3-cyclopentyl-1-methylthiourea
SMILESCN(Cc1ccccc1)C(=S)NC1CCCC1
InChIInChI=1S/C14H20N2S/c1-16(11-12-7-3-2-4-8-12)14(17)15-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyWNYDUYWDJNXRFM-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
1-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-methylthiourea
CID 116507608
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
1-benzyl-3-cyclooctyl-1-[(2-methylphenyl)methyl]thiourea
CID 17065473
1-benzyl-3-cyclooctyl-1-(1-methylpiperidin-4-yl)thiourea
CID 17065687
3-cyclopropyl-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787224
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
3-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 113218694
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopentyl-1-methylthiourea?
The IUPAC name of 1-benzyl-3-cyclopentyl-1-methylthiourea (CID 116507158) is 1-benzyl-3-cyclopentyl-1-methylthiourea.
What is the SMILES notation for 1-benzyl-3-cyclopentyl-1-methylthiourea?
The canonical SMILES for 1-benzyl-3-cyclopentyl-1-methylthiourea is CN(Cc1ccccc1)C(=S)NC1CCCC1.
What is the InChIKey of 1-benzyl-3-cyclopentyl-1-methylthiourea?
The InChIKey is WNYDUYWDJNXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-16(11-12-7-3-2-4-8-12)14(17)15-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,17).
What are the key properties of 1-benzyl-3-cyclopentyl-1-methylthiourea?
1-benzyl-3-cyclopentyl-1-methylthiourea has a molecular weight of 248.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopentyl-1-methylthiourea is sourced from PubChem (CID 116507158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).