2-cyano-N-propylpyrrolidine-1-sulfonamide

C8H15N3O2S — CID 114807904

IUPAC2-cyano-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC1C#N
InChIInChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(11)7-9/h8,10H,2-6H2,1H3
InChIKeyPCEBQRVQKMTSPM-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.22
Rot. Bonds4

About 2-cyano-N-propylpyrrolidine-1-sulfonamide

2-cyano-N-propylpyrrolidine-1-sulfonamide (PubChem CID 114807904) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-cyano-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-propylpyrrolidine-1-sulfonamide
PubChem CID114807904
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-cyano-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC1C#N
InChIInChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(11)7-9/h8,10H,2-6H2,1H3
InChIKeyPCEBQRVQKMTSPM-UHFFFAOYSA-N
XLogP0.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 114810844
2-cyano-N-cyclopropylpiperidine-1-sulfonamide
CID 114807912
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
3-phenyl-N-propyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-2-sulfonamide
CID 110634605
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133
3-amino-N-propylmorpholine-4-sulfonamide
CID 114809053

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-cyano-N-propylpyrrolidine-1-sulfonamide (CID 114807904) is 2-cyano-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-cyano-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-cyano-N-propylpyrrolidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCC1C#N.
What is the InChIKey of 2-cyano-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is PCEBQRVQKMTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(11)7-9/h8,10H,2-6H2,1H3.
What are the key properties of 2-cyano-N-propylpyrrolidine-1-sulfonamide?
2-cyano-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 114807904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).