1-butyl-3-cyclopentyl-1-methylthiourea

C11H22N2S — CID 116507159

IUPAC1-butyl-3-cyclopentyl-1-methylthiourea
SMILESCCCCN(C)C(=S)NC1CCCC1
InChIInChI=1S/C11H22N2S/c1-3-4-9-13(2)11(14)12-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRVMUXDGOHUKMOM-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.54
Rot. Bonds4

About 1-butyl-3-cyclopentyl-1-methylthiourea

1-butyl-3-cyclopentyl-1-methylthiourea (PubChem CID 116507159) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-butyl-3-cyclopentyl-1-methylthiourea.

Molecular Properties

Compound Name1-butyl-3-cyclopentyl-1-methylthiourea
PubChem CID116507159
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-butyl-3-cyclopentyl-1-methylthiourea
SMILESCCCCN(C)C(=S)NC1CCCC1
InChIInChI=1S/C11H22N2S/c1-3-4-9-13(2)11(14)12-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRVMUXDGOHUKMOM-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.54
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-(2-methoxyethyl)-1-methylthiourea
CID 116507622
1-butyl-1,3-dicyclopropylthiourea
CID 115579485
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
3-cyclohexyl-1-cyclopropyl-1-propylthiourea
CID 115611465
3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylthiourea
CID 116510300
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclohexyl-1-[2-(4-fluorophenoxy)ethyl]-1-methylthiourea
CID 9241354
3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
CID 116507156

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopentyl-1-methylthiourea?
The IUPAC name of 1-butyl-3-cyclopentyl-1-methylthiourea (CID 116507159) is 1-butyl-3-cyclopentyl-1-methylthiourea.
What is the SMILES notation for 1-butyl-3-cyclopentyl-1-methylthiourea?
The canonical SMILES for 1-butyl-3-cyclopentyl-1-methylthiourea is CCCCN(C)C(=S)NC1CCCC1.
What is the InChIKey of 1-butyl-3-cyclopentyl-1-methylthiourea?
The InChIKey is RVMUXDGOHUKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-4-9-13(2)11(14)12-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 1-butyl-3-cyclopentyl-1-methylthiourea?
1-butyl-3-cyclopentyl-1-methylthiourea has a molecular weight of 214.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopentyl-1-methylthiourea is sourced from PubChem (CID 116507159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).