2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol

C14H27NO3S — CID 79543785

IUPAC2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(C)CCS(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H27NO3S/c1-11(2)8-10-19(17,18)15-9-4-6-13(15)12-5-3-7-14(12)16/h11-14,16H,3-10H2,1-2H3
InChIKeyBCZKIAMFTZUNQD-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79543785) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79543785
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(C)CCS(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H27NO3S/c1-11(2)8-10-19(17,18)15-9-4-6-13(15)12-5-3-7-14(12)16/h11-14,16H,3-10H2,1-2H3
InChIKeyBCZKIAMFTZUNQD-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 79544615
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 83047782
1-Tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol
CID 164871844
3-[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 55260341
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
CID 62608848
2-(2-Cyclopentylpyrrolidin-1-yl)sulfonylpropan-1-ol
CID 65734979
2-(2-Cyclopentylpyrrolidin-1-yl)sulfonylethanol
CID 65735171
4-(2-Cyclopentylpyrrolidin-1-yl)sulfonylbutan-1-ol
CID 65736706
3-(2-Cyclopentylpyrrolidin-1-yl)sulfonylpropan-1-ol
CID 65736899
2-[1-(2-Methylsulfonylethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 79536156
2-[1-(2-Methylsulfonylethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79536270
2-(1-Cyclohexylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79536394

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 79543785) is 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol is CC(C)CCS(=O)(=O)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is BCZKIAMFTZUNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-11(2)8-10-19(17,18)15-9-4-6-13(15)12-5-3-7-14(12)16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79543785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).