1-propylazetidine-3-sulfonamide

C6H14N2O2S — CID 137380080

IUPAC1-propylazetidine-3-sulfonamide
SMILESCCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-3-8-4-6(5-8)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyOTIIBMWQDZRFSV-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds3

About 1-propylazetidine-3-sulfonamide

1-propylazetidine-3-sulfonamide (PubChem CID 137380080) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-propylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-propylazetidine-3-sulfonamide
PubChem CID137380080
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-propylazetidine-3-sulfonamide
SMILESCCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-3-8-4-6(5-8)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10)
InChIKeyOTIIBMWQDZRFSV-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylazetidine-3-sulfonamide?
The IUPAC name of 1-propylazetidine-3-sulfonamide (CID 137380080) is 1-propylazetidine-3-sulfonamide.
What is the SMILES notation for 1-propylazetidine-3-sulfonamide?
The canonical SMILES for 1-propylazetidine-3-sulfonamide is CCCN1CC(S(N)(=O)=O)C1.
What is the InChIKey of 1-propylazetidine-3-sulfonamide?
The InChIKey is OTIIBMWQDZRFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-3-8-4-6(5-8)11(7,9)10/h6H,2-5H2,1H3,(H2,7,9,10).
What are the key properties of 1-propylazetidine-3-sulfonamide?
1-propylazetidine-3-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazetidine-3-sulfonamide is sourced from PubChem (CID 137380080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).