3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol

C9H19NO3S — CID 103871497

IUPAC3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-14(12,13)10-5-4-9(3,11)7-10/h8,11H,4-7H2,1-3H3
InChIKeyQQKMZUZMLJNXET-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds3

About 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol

3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol (PubChem CID 103871497) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
PubChem CID103871497
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)CS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-14(12,13)10-5-4-9(3,11)7-10/h8,11H,4-7H2,1-3H3
InChIKeyQQKMZUZMLJNXET-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
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
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
(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-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
1-(Cyclohexylmethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871356
3-Methyl-1-methylsulfonylpyrrolidin-3-ol
CID 103871484
1-Methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
CID 162475439

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol (CID 103871497) is 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol is CC(C)CS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
The InChIKey is QQKMZUZMLJNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)6-14(12,13)10-5-4-9(3,11)7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol?
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 103871497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).