5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide

C10H15N3O2S2 — CID 106266702

IUPAC5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCCCN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H15N3O2S2/c1-12-6-3-7-13(2)17(14,15)10-5-4-9(8-11)16-10/h4-5,12H,3,6-7H2,1-2H3
InChIKeyGEUMGCFLUBALGE-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.85
Rot. Bonds6

About 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide

5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide (PubChem CID 106266702) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
PubChem CID106266702
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCCCN(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H15N3O2S2/c1-12-6-3-7-13(2)17(14,15)10-5-4-9(8-11)16-10/h4-5,12H,3,6-7H2,1-2H3
InChIKeyGEUMGCFLUBALGE-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyanobutyl]-5-ethylthiophene-2-sulfonamide
CID 93871061
4,5-dimethyl-N-[(2S)-2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 99852831
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267435
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267891
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 106268196
5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 106268445
5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 106268767
5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 106268773
5-cyano-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
CID 106269106
5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106292782

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide (CID 106266702) is 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide is CNCCCN(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is GEUMGCFLUBALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-12-6-3-7-13(2)17(14,15)10-5-4-9(8-11)16-10/h4-5,12H,3,6-7H2,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide?
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 273.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106266702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).