3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

C14H22N2OS — CID 78799786

IUPAC3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11-8-9-18-13(11)10-16(2)14(17)15-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyLPSBEYZBQSAYQH-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.53
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 78799786) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID78799786
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11-8-9-18-13(11)10-16(2)14(17)15-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyLPSBEYZBQSAYQH-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
N-benzyl-2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4571480
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 167776323
2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5107563
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
N-cyclohexyl-2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111892647

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (CID 78799786) is 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is LPSBEYZBQSAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-8-9-18-13(11)10-16(2)14(17)15-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 266.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 78799786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).