N-methyl-N-pyrrolidin-2-ylmethanesulfonamide

C6H14N2O2S — CID 68902198

IUPACN-methyl-N-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCCN1)S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-8(11(2,9)10)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3
InChIKeyBISHAWAROOJXJA-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.41
Rot. Bonds2

About N-methyl-N-pyrrolidin-2-ylmethanesulfonamide

N-methyl-N-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 68902198) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-2-ylmethanesulfonamide
PubChem CID68902198
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-methyl-N-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCCN1)S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-8(11(2,9)10)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3
InChIKeyBISHAWAROOJXJA-UHFFFAOYSA-N
XLogP-0.41
TPSA49.41 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 ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-pyrrolidin-2-ylmethanesulfonamide (CID 68902198) is N-methyl-N-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-pyrrolidin-2-ylmethanesulfonamide is CN(C1CCCN1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is BISHAWAROOJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8(11(2,9)10)6-4-3-5-7-6/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-pyrrolidin-2-ylmethanesulfonamide?
N-methyl-N-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 68902198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).