2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol

C12H23NO3S — CID 79549347

IUPAC2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C12H23NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyVIECQNGQOYZZIO-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds3

About 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol

2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol (PubChem CID 79549347) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
PubChem CID79549347
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C12H23NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyVIECQNGQOYZZIO-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733
1-ethylsulfonyl-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 61355027
2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79545684
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79592858
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
2-(2-hydroxycyclopentyl)-N-methylpiperidine-1-sulfonamide
CID 114809946
2-(2-hydroxycyclopentyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 79545383
N-cyclopropyl-2-(2-hydroxycyclohexyl)piperidine-1-sulfonamide
CID 114809949
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol (CID 79549347) is 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol is CCS(=O)(=O)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
The InChIKey is VIECQNGQOYZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-17(15,16)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol?
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 79549347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).