1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea

C13H20N2O2S — CID 111630265

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCCCC1CO
InChIInChI=1S/C13H20N2O2S/c16-9-10-4-1-2-6-12(10)15-13(17)14-8-11-5-3-7-18-11/h3,5,7,10,12,16H,1-2,4,6,8-9H2,(H2,14,15,17)
InChIKeyQJTLAMWDKZFVBM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 111630265) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID111630265
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCCCC1CO
InChIInChI=1S/C13H20N2O2S/c16-9-10-4-1-2-6-12(10)15-13(17)14-8-11-5-3-7-18-11/h3,5,7,10,12,16H,1-2,4,6,8-9H2,(H2,14,15,17)
InChIKeyQJTLAMWDKZFVBM-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 97008021
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(thiophen-2-ylmethyl)urea
CID 100836010
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
N-[2-(benzylcarbamoylamino)cyclohexyl]-2-thiophen-2-ylacetamide
CID 23733080
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630142
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111631266
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea (CID 111630265) is 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is QJTLAMWDKZFVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-9-10-4-1-2-6-12(10)15-13(17)14-8-11-5-3-7-18-11/h3,5,7,10,12,16H,1-2,4,6,8-9H2,(H2,14,15,17).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 268.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 111630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).