3-(methylsulfinylmethyl)pyrrolidine

C6H13NOS — CID 84649178

IUPAC3-(methylsulfinylmethyl)pyrrolidine
SMILESCS(=O)CC1CCNC1
InChIInChI=1S/C6H13NOS/c1-9(8)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyQLVISWIXGRGYPT-UHFFFAOYSA-N
MW147.24 g/mol
LogP-0.03
Rot. Bonds2

About 3-(methylsulfinylmethyl)pyrrolidine

3-(methylsulfinylmethyl)pyrrolidine (PubChem CID 84649178) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)pyrrolidine
PubChem CID84649178
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(methylsulfinylmethyl)pyrrolidine
SMILESCS(=O)CC1CCNC1
InChIInChI=1S/C6H13NOS/c1-9(8)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyQLVISWIXGRGYPT-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)pyrrolidine?
The IUPAC name of 3-(methylsulfinylmethyl)pyrrolidine (CID 84649178) is 3-(methylsulfinylmethyl)pyrrolidine.
What is the SMILES notation for 3-(methylsulfinylmethyl)pyrrolidine?
The canonical SMILES for 3-(methylsulfinylmethyl)pyrrolidine is CS(=O)CC1CCNC1.
What is the InChIKey of 3-(methylsulfinylmethyl)pyrrolidine?
The InChIKey is QLVISWIXGRGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9(8)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(methylsulfinylmethyl)pyrrolidine?
3-(methylsulfinylmethyl)pyrrolidine has a molecular weight of 147.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)pyrrolidine is sourced from PubChem (CID 84649178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).