2-cyano-N-cyclopropylpiperidine-1-sulfonamide

C9H15N3O2S — CID 114807912

IUPAC2-cyano-N-cyclopropylpiperidine-1-sulfonamide
SMILESN#CC1CCCCN1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H15N3O2S/c10-7-9-3-1-2-6-12(9)15(13,14)11-8-4-5-8/h8-9,11H,1-6H2
InChIKeyVANSCQJHDNUADB-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.36
Rot. Bonds3

About 2-cyano-N-cyclopropylpiperidine-1-sulfonamide

2-cyano-N-cyclopropylpiperidine-1-sulfonamide (PubChem CID 114807912) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-cyano-N-cyclopropylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropylpiperidine-1-sulfonamide
PubChem CID114807912
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-cyano-N-cyclopropylpiperidine-1-sulfonamide
SMILESN#CC1CCCCN1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H15N3O2S/c10-7-9-3-1-2-6-12(9)15(13,14)11-8-4-5-8/h8-9,11H,1-6H2
InChIKeyVANSCQJHDNUADB-UHFFFAOYSA-N
XLogP0.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropylpiperidine-1-sulfonamide?
The IUPAC name of 2-cyano-N-cyclopropylpiperidine-1-sulfonamide (CID 114807912) is 2-cyano-N-cyclopropylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-cyano-N-cyclopropylpiperidine-1-sulfonamide?
The canonical SMILES for 2-cyano-N-cyclopropylpiperidine-1-sulfonamide is N#CC1CCCCN1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-cyano-N-cyclopropylpiperidine-1-sulfonamide?
The InChIKey is VANSCQJHDNUADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-7-9-3-1-2-6-12(9)15(13,14)11-8-4-5-8/h8-9,11H,1-6H2.
What are the key properties of 2-cyano-N-cyclopropylpiperidine-1-sulfonamide?
2-cyano-N-cyclopropylpiperidine-1-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropylpiperidine-1-sulfonamide is sourced from PubChem (CID 114807912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).