N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C6H14N2O2S — CID 59418450

IUPACN-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h6-8H,2-5H2,1H3
InChIKeyNTTIJJHQIGZATE-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)methanesulfonamide

N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 59418450) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID59418450
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h6-8H,2-5H2,1H3
InChIKeyNTTIJJHQIGZATE-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 62541643
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-(piperidin-2-ylmethylsulfamoyl)propan-2-amine
CID 114807413
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119974092
N-[[(2R)-pyrrolidin-2-yl]methyl]azepane-1-sulfonamide
CID 131895046
2-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine;hydrochloride
CID 119974046
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 59418450) is N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is NTTIJJHQIGZATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h6-8H,2-5H2,1H3.
What are the key properties of N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 59418450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).