2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol

C14H27NO3S — CID 114339524

IUPAC2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H27NO3S/c1-19(17,18)11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyKVGFGJOACIOEKZ-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.44
Rot. Bonds5

About 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339524) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339524
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H27NO3S/c1-19(17,18)11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyKVGFGJOACIOEKZ-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339633
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
1-[(2S)-2-[(2R)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95342506
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
1-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681509
ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
CID 114339082
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339524) is 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol is CS(=O)(=O)CCCN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is KVGFGJOACIOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-19(17,18)11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).