3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide

C8H16N2O3S — CID 114809632

IUPAC3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H16N2O3S/c1-2-9-14(12,13)10-5-8(11,6-10)7-3-4-7/h7,9,11H,2-6H2,1H3
InChIKeyCNNMONSSOBGOTP-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.70
Rot. Bonds4

About 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide

3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide (PubChem CID 114809632) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide
PubChem CID114809632
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H16N2O3S/c1-2-9-14(12,13)10-5-8(11,6-10)7-3-4-7/h7,9,11H,2-6H2,1H3
InChIKeyCNNMONSSOBGOTP-UHFFFAOYSA-N
XLogP-0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dicyclopropyl-3-hydroxyazetidine-1-sulfonamide
CID 114809634
(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide
CID 130645021
N-ethylazepane-1-sulfonamide
CID 43213421
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
methyl 2-[1-(ethylsulfamoyl)piperidin-4-yl]acetate
CID 58553182
3-cyano-N-ethylazetidine-1-sulfonamide
CID 130636761
N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809621
3-(2-aminoethyl)-N-ethylpyrrolidine-1-sulfonamide
CID 114813055
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114808687
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide (CID 114809632) is 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide is CCNS(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide?
The InChIKey is CNNMONSSOBGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-9-14(12,13)10-5-8(11,6-10)7-3-4-7/h7,9,11H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide?
3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 114809632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).