N-propyl-2-pyrrolidin-2-ylethanesulfonamide

C9H20N2O2S — CID 115071362

IUPACN-propyl-2-pyrrolidin-2-ylethanesulfonamide
SMILESCCCNS(=O)(=O)CCC1CCCN1
InChIInChI=1S/C9H20N2O2S/c1-2-6-11-14(12,13)8-5-9-4-3-7-10-9/h9-11H,2-8H2,1H3
InChIKeyCQGAYGICAMGJPD-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.46
Rot. Bonds6

About N-propyl-2-pyrrolidin-2-ylethanesulfonamide

N-propyl-2-pyrrolidin-2-ylethanesulfonamide (PubChem CID 115071362) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-propyl-2-pyrrolidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-propyl-2-pyrrolidin-2-ylethanesulfonamide
PubChem CID115071362
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-propyl-2-pyrrolidin-2-ylethanesulfonamide
SMILESCCCNS(=O)(=O)CCC1CCCN1
InChIInChI=1S/C9H20N2O2S/c1-2-6-11-14(12,13)8-5-9-4-3-7-10-9/h9-11H,2-8H2,1H3
InChIKeyCQGAYGICAMGJPD-UHFFFAOYSA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
2-(azetidin-2-yl)-N-ethylethanesulfonamide
CID 115071323

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrrolidin-2-ylethanesulfonamide?
The IUPAC name of N-propyl-2-pyrrolidin-2-ylethanesulfonamide (CID 115071362) is N-propyl-2-pyrrolidin-2-ylethanesulfonamide.
What is the SMILES notation for N-propyl-2-pyrrolidin-2-ylethanesulfonamide?
The canonical SMILES for N-propyl-2-pyrrolidin-2-ylethanesulfonamide is CCCNS(=O)(=O)CCC1CCCN1.
What is the InChIKey of N-propyl-2-pyrrolidin-2-ylethanesulfonamide?
The InChIKey is CQGAYGICAMGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-6-11-14(12,13)8-5-9-4-3-7-10-9/h9-11H,2-8H2,1H3.
What are the key properties of N-propyl-2-pyrrolidin-2-ylethanesulfonamide?
N-propyl-2-pyrrolidin-2-ylethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrrolidin-2-ylethanesulfonamide is sourced from PubChem (CID 115071362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).