2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol

C12H25NO3S — CID 103820089

IUPAC2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)(C)CCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)6-9-17(15,16)13-7-4-11(10-13)5-8-14/h11,14H,4-10H2,1-3H3
InChIKeyWTVKQQTYGWPVDO-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol

2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 103820089) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID103820089
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)(C)CCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)6-9-17(15,16)13-7-4-11(10-13)5-8-14/h11,14H,4-10H2,1-3H3
InChIKeyWTVKQQTYGWPVDO-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-pentylsulfonylpyrrolidin-3-yl]methanol
CID 97306346
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115967735
5-(1,1-Dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
[1-(2,2-Dimethylpropylsulfonyl)pyrrolidin-3-yl]methanol
CID 64478221
[(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261999
(1-Pentylsulfonylpyrrolidin-3-yl)methanol
CID 75484917
2-(1-Methanesulfonylpyrrolidin-3-yl)ethan-1-ol
CID 77059138
[(2S)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028469
2-(3,3-Diethylpyrrolidin-1-yl)sulfonylpropan-1-ol
CID 80193273
4-(3,3-Dimethylpyrrolidin-1-yl)sulfonylbutan-1-ol
CID 80193422
4-(3,3-Diethylpyrrolidin-1-yl)sulfonylbutan-1-ol
CID 80193836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol (CID 103820089) is 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol is CC(C)(C)CCS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is WTVKQQTYGWPVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)6-9-17(15,16)13-7-4-11(10-13)5-8-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 263.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103820089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).