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

C8H17NO3S — CID 65146727

IUPAC1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CCS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-9-5-3-8(10,7-9)4-6-13(2,11)12/h10H,3-7H2,1-2H3
InChIKeyHIQIMVBWUKDNOB-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds3

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

1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol (PubChem CID 65146727) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
PubChem CID65146727
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CCS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-9-5-3-8(10,7-9)4-6-13(2,11)12/h10H,3-7H2,1-2H3
InChIKeyHIQIMVBWUKDNOB-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol (CID 65146727) is 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol is CN1CCC(O)(CCS(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol?
The InChIKey is HIQIMVBWUKDNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9-5-3-8(10,7-9)4-6-13(2,11)12/h10H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol?
1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 65146727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).