(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol

C9H17NO3S — CID 164634547

IUPAC(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
SMILESC[C@]1(O)CCN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C9H17NO3S/c1-9(11)5-6-10(7-9)14(12,13)8-3-2-4-8/h8,11H,2-7H2,1H3/t9-/m0/s1
InChIKeyMGHWOCVVVAJQMW-VIFPVBQESA-N
MW219.31 g/mol
LogP0.33
Rot. Bonds2

About (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol

(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 164634547) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
PubChem CID164634547
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
SMILESC[C@]1(O)CCN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C9H17NO3S/c1-9(11)5-6-10(7-9)14(12,13)8-3-2-4-8/h8,11H,2-7H2,1H3/t9-/m0/s1
InChIKeyMGHWOCVVVAJQMW-VIFPVBQESA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide
CID 72883154
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylethanesulfonamide
CID 132372952
1-(3,3-Dimethylbutylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 136528436
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
3-Methyl-1-methylsulfonylpyrrolidin-3-ol
CID 103871484
1-(3-Methylbutylsulfonyl)pyrrolidin-3-ol
CID 63857865
(3R)-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 66291458
1-Ethylsulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 73439978
(3S)-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 79031180
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol (CID 164634547) is (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol is C[C@]1(O)CCN(S(=O)(=O)C2CCC2)C1.
What is the InChIKey of (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is MGHWOCVVVAJQMW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(11)5-6-10(7-9)14(12,13)8-3-2-4-8/h8,11H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol?
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 219.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 164634547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).