5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

C11H17N5O2S2 — CID 106093591

IUPAC5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ncn(C)n2)cs1
InChIInChI=1S/C11H17N5O2S2/c1-3-12-5-9-4-10(7-19-9)20(17,18)14-6-11-13-8-16(2)15-11/h4,7-8,12,14H,3,5-6H2,1-2H3
InChIKeyJJAVWTHDBWWPPJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.46
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106093591) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID106093591
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCc2ncn(C)n2)cs1
InChIInChI=1S/C11H17N5O2S2/c1-3-12-5-9-4-10(7-19-9)20(17,18)14-6-11-13-8-16(2)15-11/h4,7-8,12,14H,3,5-6H2,1-2H3
InChIKeyJJAVWTHDBWWPPJ-UHFFFAOYSA-N
XLogP0.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (CID 106093591) is 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCc2ncn(C)n2)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is JJAVWTHDBWWPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-12-5-9-4-10(7-19-9)20(17,18)14-6-11-13-8-16(2)15-11/h4,7-8,12,14H,3,5-6H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).