1-propan-2-ylsulfinylpyrrolidine

C7H15NOS — CID 126646950

IUPAC1-propan-2-ylsulfinylpyrrolidine
SMILESCC(C)S(=O)N1CCCC1
InChIInChI=1S/C7H15NOS/c1-7(2)10(9)8-5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKeyJPXXWLYEMJUJFR-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.15
Rot. Bonds2

About 1-propan-2-ylsulfinylpyrrolidine

1-propan-2-ylsulfinylpyrrolidine (PubChem CID 126646950) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-propan-2-ylsulfinylpyrrolidine.

Molecular Properties

Compound Name1-propan-2-ylsulfinylpyrrolidine
PubChem CID126646950
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-propan-2-ylsulfinylpyrrolidine
SMILESCC(C)S(=O)N1CCCC1
InChIInChI=1S/C7H15NOS/c1-7(2)10(9)8-5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKeyJPXXWLYEMJUJFR-UHFFFAOYSA-N
XLogP1.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propylsulfonylpyrrolidine
CID 303057
1-Butylsulfonylpyrrolidine
CID 303063
(3R)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 124082859
3-Fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 131966897
(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 134590493
1-Ethylsulfonyl-3-fluoropyrrolidine
CID 145194176
(3S)-1-ethylsulfonyl-3-fluoropyrrolidine
CID 145194184
3-Fluoro-1-methylsulfinylpyrrolidine
CID 167493477
N,N-dimethyl-1-(2-oxodithiolan-3-yl)methanamine
CID 14442322
2-(3-Fluorobutyl)-1,2-thiazolidine 1,1-dioxide
CID 130708283
1-Ethylsulfonylpyrrolidine
CID 4387144
Imino(methyl)(pyrrolidin-1-yl)-lambda6-sulfanone
CID 10081144

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfinylpyrrolidine?
The IUPAC name of 1-propan-2-ylsulfinylpyrrolidine (CID 126646950) is 1-propan-2-ylsulfinylpyrrolidine.
What is the SMILES notation for 1-propan-2-ylsulfinylpyrrolidine?
The canonical SMILES for 1-propan-2-ylsulfinylpyrrolidine is CC(C)S(=O)N1CCCC1.
What is the InChIKey of 1-propan-2-ylsulfinylpyrrolidine?
The InChIKey is JPXXWLYEMJUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)10(9)8-5-3-4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfinylpyrrolidine?
1-propan-2-ylsulfinylpyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfinylpyrrolidine is sourced from PubChem (CID 126646950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).