1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea

C15H28N2O3S — CID 111841041

IUPAC1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C15H28N2O3S/c1-2-21(20)12-7-5-6-11(10-12)16-15(19)17-13-8-3-4-9-14(13)18/h11-14,18H,2-10H2,1H3,(H2,16,17,19)
InChIKeyQUMJQPZJKWFZRT-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.67
Rot. Bonds4

About 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea

1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111841041) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111841041
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C15H28N2O3S/c1-2-21(20)12-7-5-6-11(10-12)16-15(19)17-13-8-3-4-9-14(13)18/h11-14,18H,2-10H2,1H3,(H2,16,17,19)
InChIKeyQUMJQPZJKWFZRT-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
CID 110933307
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
CID 71976524
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
CID 119343736
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96512971
2-[[(cyclopentylamino)-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042908
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide
CID 109437985

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea (CID 111841041) is 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea is CCS(=O)C1CCCC(NC(=O)NC2CCCCC2O)C1.
What is the InChIKey of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is QUMJQPZJKWFZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-2-21(20)12-7-5-6-11(10-12)16-15(19)17-13-8-3-4-9-14(13)18/h11-14,18H,2-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea?
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 316.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111841041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).