4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide

C11H20N2O4S — CID 138381788

IUPAC4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC1C1(O)CC1
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)8-2-4-10(14)13-7-1-3-9(13)11(15)5-6-11/h9,15H,1-8H2,(H2,12,16,17)
InChIKeyNKAYAJIXPIZUTM-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.43
Rot. Bonds5

About 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide

4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 138381788) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID138381788
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC1C1(O)CC1
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)8-2-4-10(14)13-7-1-3-9(13)11(15)5-6-11/h9,15H,1-8H2,(H2,12,16,17)
InChIKeyNKAYAJIXPIZUTM-UHFFFAOYSA-N
XLogP-0.43
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 138379482
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905
4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95223490
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
4-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95532286
4-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95881091
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
1-[2-(1-aminoethyl)piperidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119434466
ethyl 4-sulfamoylbutanoate
CID 61374945
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
tert-butyl 2-(1-aminocyclopentyl)pyrrolidine-1-carboxylate
CID 115071770

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide (CID 138381788) is 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC1C1(O)CC1.
What is the InChIKey of 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is NKAYAJIXPIZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c12-18(16,17)8-2-4-10(14)13-7-1-3-9(13)11(15)5-6-11/h9,15H,1-8H2,(H2,12,16,17).
What are the key properties of 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 138381788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).