N-pyrrolidin-2-ylmethanesulfonamide

C5H12N2O2S — CID 173138820

IUPACN-pyrrolidin-2-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCCN1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-3-2-4-6-5/h5-7H,2-4H2,1H3
InChIKeyBZLOIACITCVXPZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.75
Rot. Bonds2

About N-pyrrolidin-2-ylmethanesulfonamide

N-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 173138820) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-2-ylmethanesulfonamide
PubChem CID173138820
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN-pyrrolidin-2-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCCN1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-3-2-4-6-5/h5-7H,2-4H2,1H3
InChIKeyBZLOIACITCVXPZ-UHFFFAOYSA-N
XLogP-0.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylsulfamoyl)pyrrolidin-2-amine
CID 117126136
1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
CID 134991525
N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
N-(cyclohexylsulfamoyl)piperidin-2-amine
CID 117126119
N-pyrrolidin-2-ylmorpholine-4-sulfonamide
CID 117126254
N-(2,5-dimethylcyclopentyl)methanesulfonamide
CID 130694153
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
(2R)-N-methoxypyrrolidin-2-amine
CID 161349886
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
N-piperidin-2-ylmorpholine-4-sulfonamide
CID 117126253

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-pyrrolidin-2-ylmethanesulfonamide (CID 173138820) is N-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-pyrrolidin-2-ylmethanesulfonamide is CS(=O)(=O)NC1CCCN1.
What is the InChIKey of N-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is BZLOIACITCVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-5-3-2-4-6-5/h5-7H,2-4H2,1H3.
What are the key properties of N-pyrrolidin-2-ylmethanesulfonamide?
N-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 173138820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).