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

C8H16N2O3S — CID 114809614

IUPACN-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C8H16N2O3S/c1-2-8(11)5-10(6-8)14(12,13)9-7-3-4-7/h7,9,11H,2-6H2,1H3
InChIKeyXXMJBGJAZXYHDP-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.56
Rot. Bonds4

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

N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide (PubChem CID 114809614) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
PubChem CID114809614
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C8H16N2O3S/c1-2-8(11)5-10(6-8)14(12,13)9-7-3-4-7/h7,9,11H,2-6H2,1H3
InChIKeyXXMJBGJAZXYHDP-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide (CID 114809614) is N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide is CCC1(O)CN(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The InChIKey is XXMJBGJAZXYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-8(11)5-10(6-8)14(12,13)9-7-3-4-7/h7,9,11H,2-6H2,1H3.
What are the key properties of N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 114809614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).