1-cyclopentyl-3-(1-methylcyclopentyl)thiourea

C12H22N2S — CID 116508968

IUPAC1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
SMILESCC1(NC(=S)NC2CCCC2)CCCC1
InChIInChI=1S/C12H22N2S/c1-12(8-4-5-9-12)14-11(15)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyNSTKHBVPVJOKFB-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.73
Rot. Bonds2

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

1-cyclopentyl-3-(1-methylcyclopentyl)thiourea (PubChem CID 116508968) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
PubChem CID116508968
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
SMILESCC1(NC(=S)NC2CCCC2)CCCC1
InChIInChI=1S/C12H22N2S/c1-12(8-4-5-9-12)14-11(15)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyNSTKHBVPVJOKFB-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea
CID 130678797
1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea
CID 126993683
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
N-cyclohexyl-2-[(1-methylcyclopentyl)amino]acetamide
CID 61367157
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
CID 103975342
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea (CID 116508968) is 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea is CC1(NC(=S)NC2CCCC2)CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea?
The InChIKey is NSTKHBVPVJOKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(8-4-5-9-12)14-11(15)13-10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea?
1-cyclopentyl-3-(1-methylcyclopentyl)thiourea has a molecular weight of 226.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylcyclopentyl)thiourea is sourced from PubChem (CID 116508968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).