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

C9H13N5O2S2 — CID 106093482

IUPAC5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2csc(CN)c2)n1
InChIInChI=1S/C9H13N5O2S2/c1-14-6-11-9(13-14)4-12-18(15,16)8-2-7(3-10)17-5-8/h2,5-6,12H,3-4,10H2,1H3
InChIKeyHXFFBHHDJXPZEH-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.19
Rot. Bonds5

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

5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106093482) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID106093482
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2csc(CN)c2)n1
InChIInChI=1S/C9H13N5O2S2/c1-14-6-11-9(13-14)4-12-18(15,16)8-2-7(3-10)17-5-8/h2,5-6,12H,3-4,10H2,1H3
InChIKeyHXFFBHHDJXPZEH-UHFFFAOYSA-N
XLogP-0.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093591
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
4-(aminomethyl)-2-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093481
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887
3-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883848
3-(aminomethyl)-2,4-dichloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093525

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (CID 106093482) is 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is Cn1cnc(CNS(=O)(=O)c2csc(CN)c2)n1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is HXFFBHHDJXPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-14-6-11-9(13-14)4-12-18(15,16)8-2-7(3-10)17-5-8/h2,5-6,12H,3-4,10H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106093482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).