1-butylsulfonyl-3-methylpyrrolidin-3-ol

C9H19NO3S — CID 103871360

IUPAC1-butylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-3-4-7-14(12,13)10-6-5-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyJGFRSILSTIJERH-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds4

About 1-butylsulfonyl-3-methylpyrrolidin-3-ol

1-butylsulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871360) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-butylsulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-butylsulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871360
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-butylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCCCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO3S/c1-3-4-7-14(12,13)10-6-5-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyJGFRSILSTIJERH-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
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
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
1-Cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113318700
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
3-Methyl-1-(1-methylsulfanylcyclopropyl)sulfonylpyrrolidin-3-ol
CID 156349899
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-butylsulfonyl-3-methylpyrrolidin-3-ol (CID 103871360) is 1-butylsulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-butylsulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-butylsulfonyl-3-methylpyrrolidin-3-ol is CCCCS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-butylsulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is JGFRSILSTIJERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-4-7-14(12,13)10-6-5-9(2,11)8-10/h11H,3-8H2,1-2H3.
What are the key properties of 1-butylsulfonyl-3-methylpyrrolidin-3-ol?
1-butylsulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).