5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide

C12H19N5O2S2 — CID 106077013

IUPAC5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCn2ccnn2)s1
InChIInChI=1S/C12H19N5O2S2/c1-2-13-10-11-4-5-12(20-11)21(18,19)15-6-3-8-17-9-7-14-16-17/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3
InChIKeyOYSNFLJFCYHHEP-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.82
Rot. Bonds9

About 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 106077013) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID106077013
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCn2ccnn2)s1
InChIInChI=1S/C12H19N5O2S2/c1-2-13-10-11-4-5-12(20-11)21(18,19)15-6-3-8-17-9-7-14-16-17/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3
InChIKeyOYSNFLJFCYHHEP-UHFFFAOYSA-N
XLogP0.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077042
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077061
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106075483

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide (CID 106077013) is 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCn2ccnn2)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is OYSNFLJFCYHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-2-13-10-11-4-5-12(20-11)21(18,19)15-6-3-8-17-9-7-14-16-17/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106077013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).