6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide

C12H16N4O2S — CID 114614830

IUPAC6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCNC2CC2)cn1
InChIInChI=1S/C12H16N4O2S/c13-8-11-4-5-12(9-15-11)19(17,18)16-7-1-6-14-10-2-3-10/h4-5,9-10,14,16H,1-3,6-7H2
InChIKeyYNWZPOMJBNFQGT-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.37
Rot. Bonds7

About 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide

6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide (PubChem CID 114614830) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
PubChem CID114614830
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCNC2CC2)cn1
InChIInChI=1S/C12H16N4O2S/c13-8-11-4-5-12(9-15-11)19(17,18)16-7-1-6-14-10-2-3-10/h4-5,9-10,14,16H,1-3,6-7H2
InChIKeyYNWZPOMJBNFQGT-UHFFFAOYSA-N
XLogP0.37
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
N-[3-(cyclopropylamino)propyl]-4-nitrobenzenesulfonamide
CID 43598615
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide (CID 114614830) is 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCCNC2CC2)cn1.
What is the InChIKey of 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide?
The InChIKey is YNWZPOMJBNFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-8-11-4-5-12(9-15-11)19(17,18)16-7-1-6-14-10-2-3-10/h4-5,9-10,14,16H,1-3,6-7H2.
What are the key properties of 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide?
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114614830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).