1-cyclobutyl-3-(2-methylcyclobutyl)thiourea

C10H18N2S — CID 131208942

IUPAC1-cyclobutyl-3-(2-methylcyclobutyl)thiourea
SMILESCC1CCC1NC(=S)NC1CCC1
InChIInChI=1S/C10H18N2S/c1-7-5-6-9(7)12-10(13)11-8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,11,12,13)
InChIKeyPFBVXQGPXIGSKG-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.80
Rot. Bonds2

About 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea

1-cyclobutyl-3-(2-methylcyclobutyl)thiourea (PubChem CID 131208942) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methylcyclobutyl)thiourea
PubChem CID131208942
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-cyclobutyl-3-(2-methylcyclobutyl)thiourea
SMILESCC1CCC1NC(=S)NC1CCC1
InChIInChI=1S/C10H18N2S/c1-7-5-6-9(7)12-10(13)11-8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,11,12,13)
InChIKeyPFBVXQGPXIGSKG-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.80
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-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea
CID 116508996
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
CID 116508228
1-cyclopropyl-3-(1,3-dimethylpiperidin-4-yl)thiourea
CID 115598623
1-(2-methylcyclobutyl)-3-prop-2-ynylthiourea
CID 130666288
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea
CID 16553937
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
CID 103727711
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-methylthiourea
CID 7941565
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
CID 116509599
1-but-3-yn-2-yl-3-cyclobutylthiourea
CID 130742363

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea?
The IUPAC name of 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea (CID 131208942) is 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea.
What is the SMILES notation for 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea?
The canonical SMILES for 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea is CC1CCC1NC(=S)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea?
The InChIKey is PFBVXQGPXIGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7-5-6-9(7)12-10(13)11-8-3-2-4-8/h7-9H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea?
1-cyclobutyl-3-(2-methylcyclobutyl)thiourea has a molecular weight of 198.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methylcyclobutyl)thiourea is sourced from PubChem (CID 131208942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).