1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea

C12H24N2O2S — CID 71980784

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC1CCCCC1CO
InChIInChI=1S/C12H24N2O2S/c1-9(8-17-2)13-12(16)14-11-6-4-3-5-10(11)7-15/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyZESVIPQKNZTVJJ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea

1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea (PubChem CID 71980784) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
PubChem CID71980784
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC1CCCCC1CO
InChIInChI=1S/C12H24N2O2S/c1-9(8-17-2)13-12(16)14-11-6-4-3-5-10(11)7-15/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyZESVIPQKNZTVJJ-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631027
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea
CID 71989996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea (CID 71980784) is 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea is CSCC(C)NC(=O)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The InChIKey is ZESVIPQKNZTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(8-17-2)13-12(16)14-11-6-4-3-5-10(11)7-15/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea has a molecular weight of 260.40 g/mol, XLogP of 1.59, 5 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-(1-methylsulfanylpropan-2-yl)urea is sourced from PubChem (CID 71980784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).