N-methyl-2-pyrrolidin-3-ylethanesulfonamide

C7H16N2O2S — CID 115019215

IUPACN-methyl-2-pyrrolidin-3-ylethanesulfonamide
SMILESCNS(=O)(=O)CCC1CCNC1
InChIInChI=1S/C7H16N2O2S/c1-8-12(10,11)5-3-7-2-4-9-6-7/h7-9H,2-6H2,1H3
InChIKeyPQQVNYBTSCTUCJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.46
Rot. Bonds4

About N-methyl-2-pyrrolidin-3-ylethanesulfonamide

N-methyl-2-pyrrolidin-3-ylethanesulfonamide (PubChem CID 115019215) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-3-ylethanesulfonamide
PubChem CID115019215
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-methyl-2-pyrrolidin-3-ylethanesulfonamide
SMILESCNS(=O)(=O)CCC1CCNC1
InChIInChI=1S/C7H16N2O2S/c1-8-12(10,11)5-3-7-2-4-9-6-7/h7-9H,2-6H2,1H3
InChIKeyPQQVNYBTSCTUCJ-UHFFFAOYSA-N
XLogP-0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2-piperidin-3-ylethanesulfonyl fluoride
CID 146049276
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-3-ylethanesulfonamide?
The IUPAC name of N-methyl-2-pyrrolidin-3-ylethanesulfonamide (CID 115019215) is N-methyl-2-pyrrolidin-3-ylethanesulfonamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-3-ylethanesulfonamide?
The canonical SMILES for N-methyl-2-pyrrolidin-3-ylethanesulfonamide is CNS(=O)(=O)CCC1CCNC1.
What is the InChIKey of N-methyl-2-pyrrolidin-3-ylethanesulfonamide?
The InChIKey is PQQVNYBTSCTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-8-12(10,11)5-3-7-2-4-9-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-2-pyrrolidin-3-ylethanesulfonamide?
N-methyl-2-pyrrolidin-3-ylethanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-3-ylethanesulfonamide is sourced from PubChem (CID 115019215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).