1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol

C9H17NO3S — CID 130834946

IUPAC1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)C2CC2)CC1O
InChIInChI=1S/C9H17NO3S/c1-9(2)6-10(5-8(9)11)14(12,13)7-3-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyLMEBMNYJHCRGFG-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.18
Rot. Bonds2

About 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol

1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol (PubChem CID 130834946) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol
PubChem CID130834946
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)C2CC2)CC1O
InChIInChI=1S/C9H17NO3S/c1-9(2)6-10(5-8(9)11)14(12,13)7-3-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyLMEBMNYJHCRGFG-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
1-(3-Fluoropropylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 128160624
1-(Propane-2-sulfonyl)pyrrolidin-3-ol
CID 62916605
1-Ethanesulfonylpyrrolidin-3-ol
CID 62916609
(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 66291398
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propylmethanesulfonate
CID 86645607
4-(7-Hydroxy-5-azaspiro[2.4]heptan-5-yl)butane-1-sulfonic acid
CID 86645608
1-(1-Tert-butylcyclopropyl)sulfonylpyrrolidin-3-ol
CID 160885028
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901
1-Propylsulfonylpyrrolidin-3-ol
CID 62916606
1-Butylsulfonylpyrrolidin-3-ol
CID 62916608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol (CID 130834946) is 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol is CC1(C)CN(S(=O)(=O)C2CC2)CC1O.
What is the InChIKey of 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is LMEBMNYJHCRGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(2)6-10(5-8(9)11)14(12,13)7-3-4-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol?
1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 219.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 130834946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).