3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea

C15H28N2S — CID 113224002

IUPAC3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
SMILESCN(CC1CCCCC1)C(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2S/c1-17(12-13-8-4-2-5-9-13)15(18)16-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBPPJVEBZIFTPQU-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.71
Rot. Bonds3

About 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea

3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea (PubChem CID 113224002) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
PubChem CID113224002
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
SMILESCN(CC1CCCCC1)C(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2S/c1-17(12-13-8-4-2-5-9-13)15(18)16-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBPPJVEBZIFTPQU-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.71
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-cyclohexyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]thiourea
CID 116509323
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylthiourea
CID 116510300
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
CID 116507622
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
CID 116507156
3-cyclohexyl-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508875
1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 112837928
cycloheptylmethyl(methyl)carbamic acid
CID 146255648

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea?
The IUPAC name of 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea (CID 113224002) is 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea.
What is the SMILES notation for 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea?
The canonical SMILES for 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea is CN(CC1CCCCC1)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea?
The InChIKey is BPPJVEBZIFTPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-17(12-13-8-4-2-5-9-13)15(18)16-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea?
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea has a molecular weight of 268.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea is sourced from PubChem (CID 113224002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).