1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol

C10H21NO3S — CID 81468436

IUPAC1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCC1CC(O)(CCCS(C)(=O)=O)CN1C
InChIInChI=1S/C10H21NO3S/c1-9-7-10(12,8-11(9)2)5-4-6-15(3,13)14/h9,12H,4-8H2,1-3H3
InChIKeyCQKFWSIWEAMJSQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds4

About 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol

1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (PubChem CID 81468436) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
PubChem CID81468436
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
SMILESCC1CC(O)(CCCS(C)(=O)=O)CN1C
InChIInChI=1S/C10H21NO3S/c1-9-7-10(12,8-11(9)2)5-4-6-15(3,13)14/h9,12H,4-8H2,1-3H3
InChIKeyCQKFWSIWEAMJSQ-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol (CID 81468436) is 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is CC1CC(O)(CCCS(C)(=O)=O)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
The InChIKey is CQKFWSIWEAMJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9-7-10(12,8-11(9)2)5-4-6-15(3,13)14/h9,12H,4-8H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol?
1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 81468436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).