2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

C13H25NO5S2 — CID 79536156

IUPAC2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-4-6-12(14)11-5-2-3-7-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyFGNQXAVNHZWVCD-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.38
Rot. Bonds5

About 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 79536156) has the molecular formula C13H25NO5S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID79536156
Molecular FormulaC13H25NO5S2
Molecular Weight339.48 g/mol
Exact Mass339.12
IUPAC Name2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-4-6-12(14)11-5-2-3-7-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyFGNQXAVNHZWVCD-UHFFFAOYSA-N
XLogP0.38
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 136540141
[2-[[4-(Hydroxymethyl)cyclohexyl]methyl]-1,1-dioxo-1,2-thiazolidin-3-yl]methanesulfonyl chloride
CID 155140394
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 55094438
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62608846
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 62611462
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 62611463
1-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79535876
Ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]sulfonylacetate
CID 79536142
2-[1-(Oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 79536144
Methyl 3-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 79536149
Methyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 79536150
2-[1-(2-Methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79536270

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 79536156) is 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is CS(=O)(=O)CCS(=O)(=O)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is FGNQXAVNHZWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S2/c1-20(16,17)9-10-21(18,19)14-8-4-6-12(14)11-5-2-3-7-13(11)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79536156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).