(1-methylpyrrolidin-2-yl)methanesulfonamide

C6H14N2O2S — CID 130723611

IUPAC(1-methylpyrrolidin-2-yl)methanesulfonamide
SMILESCN1CCCC1CS(N)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyYLGZTVKAABKAIC-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds2

About (1-methylpyrrolidin-2-yl)methanesulfonamide

(1-methylpyrrolidin-2-yl)methanesulfonamide (PubChem CID 130723611) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methanesulfonamide
PubChem CID130723611
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(1-methylpyrrolidin-2-yl)methanesulfonamide
SMILESCN1CCCC1CS(N)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyYLGZTVKAABKAIC-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methanesulfonamide?
The IUPAC name of (1-methylpyrrolidin-2-yl)methanesulfonamide (CID 130723611) is (1-methylpyrrolidin-2-yl)methanesulfonamide.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methanesulfonamide?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methanesulfonamide is CN1CCCC1CS(N)(=O)=O.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methanesulfonamide?
The InChIKey is YLGZTVKAABKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8-4-2-3-6(8)5-11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10).
What are the key properties of (1-methylpyrrolidin-2-yl)methanesulfonamide?
(1-methylpyrrolidin-2-yl)methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methanesulfonamide is sourced from PubChem (CID 130723611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).