3-hydroxy-N,3-dipropylazetidine-1-sulfonamide

C9H20N2O3S — CID 114809622

IUPAC3-hydroxy-N,3-dipropylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(O)(CCC)C1
InChIInChI=1S/C9H20N2O3S/c1-3-5-9(12)7-11(8-9)15(13,14)10-6-4-2/h10,12H,3-8H2,1-2H3
InChIKeyLNGJLGIGBDYSKV-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds6

About 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide

3-hydroxy-N,3-dipropylazetidine-1-sulfonamide (PubChem CID 114809622) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,3-dipropylazetidine-1-sulfonamide
PubChem CID114809622
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-hydroxy-N,3-dipropylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(O)(CCC)C1
InChIInChI=1S/C9H20N2O3S/c1-3-5-9(12)7-11(8-9)15(13,14)10-6-4-2/h10,12H,3-8H2,1-2H3
InChIKeyLNGJLGIGBDYSKV-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide (CID 114809622) is 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide is CCCNS(=O)(=O)N1CC(O)(CCC)C1.
What is the InChIKey of 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide?
The InChIKey is LNGJLGIGBDYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-5-9(12)7-11(8-9)15(13,14)10-6-4-2/h10,12H,3-8H2,1-2H3.
What are the key properties of 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide?
3-hydroxy-N,3-dipropylazetidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,3-dipropylazetidine-1-sulfonamide is sourced from PubChem (CID 114809622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).