3-cyano-N-propylazetidine-1-sulfonamide

C7H13N3O2S — CID 138479475

IUPAC3-cyano-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-5-7(4-8)6-10/h7,9H,2-3,5-6H2,1H3
InChIKeyXDCHGIKXSBICIH-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.31
Rot. Bonds4

About 3-cyano-N-propylazetidine-1-sulfonamide

3-cyano-N-propylazetidine-1-sulfonamide (PubChem CID 138479475) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-cyano-N-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyano-N-propylazetidine-1-sulfonamide
PubChem CID138479475
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-cyano-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(C#N)C1
InChIInChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-5-7(4-8)6-10/h7,9H,2-3,5-6H2,1H3
InChIKeyXDCHGIKXSBICIH-UHFFFAOYSA-N
XLogP-0.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propylazetidine-1-sulfonamide?
The IUPAC name of 3-cyano-N-propylazetidine-1-sulfonamide (CID 138479475) is 3-cyano-N-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyano-N-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-cyano-N-propylazetidine-1-sulfonamide is CCCNS(=O)(=O)N1CC(C#N)C1.
What is the InChIKey of 3-cyano-N-propylazetidine-1-sulfonamide?
The InChIKey is XDCHGIKXSBICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-5-7(4-8)6-10/h7,9H,2-3,5-6H2,1H3.
What are the key properties of 3-cyano-N-propylazetidine-1-sulfonamide?
3-cyano-N-propylazetidine-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propylazetidine-1-sulfonamide is sourced from PubChem (CID 138479475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).