1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol

C9H19NO3S — CID 65146620

IUPAC1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-10-6-5-9(11,8-10)4-3-7-14(2,12)13/h11H,3-8H2,1-2H3
InChIKeyVSHKRMNVATZBCM-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds4

About 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol

1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (PubChem CID 65146620) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
PubChem CID65146620
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-10-6-5-9(11,8-10)4-3-7-14(2,12)13/h11H,3-8H2,1-2H3
InChIKeyVSHKRMNVATZBCM-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol
CID 65146529
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 81468436
3-(3-methylsulfonylpropyl)oxolan-3-ol
CID 65145889
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
2,2-dimethyl-4-(3-methylsulfonylpropyl)oxan-4-ol
CID 65149000
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
CID 59504968
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (CID 65146620) is 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is CN1CCC(O)(CCCS(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The InChIKey is VSHKRMNVATZBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-6-5-9(11,8-10)4-3-7-14(2,12)13/h11H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 65146620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).