N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide

C13H20N2O2S — CID 117424887

IUPACN-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide
SMILESCN(c1ccccc1CC1CCCN1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-8-4-3-6-11(13)10-12-7-5-9-14-12/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3
InChIKeyWQQUOIVKTUDGAH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.38
Rot. Bonds4

About N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide

N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide (PubChem CID 117424887) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide
PubChem CID117424887
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide
SMILESCN(c1ccccc1CC1CCCN1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-8-4-3-6-11(13)10-12-7-5-9-14-12/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3
InChIKeyWQQUOIVKTUDGAH-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
N-(2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 62003997
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
2-(piperidin-2-ylmethyl)aniline
CID 84662844
N-cyclopropyl-2-methylsulfonyl-N-(piperidin-2-ylmethyl)aniline
CID 106641104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide (CID 117424887) is N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide is CN(c1ccccc1CC1CCCN1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide?
The InChIKey is WQQUOIVKTUDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(18(2,16)17)13-8-4-3-6-11(13)10-12-7-5-9-14-12/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide?
N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 117424887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).