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

C11H17N5O2S2 — CID 106077042

IUPAC5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H17N5O2S2/c1-9-11(7-10(8-12)19-9)20(17,18)14-3-2-5-16-6-4-13-15-16/h4,6-7,14H,2-3,5,8,12H2,1H3
InChIKeyGETCTRVZBDNFOT-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.48
Rot. Bonds7

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

5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide (PubChem CID 106077042) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
PubChem CID106077042
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H17N5O2S2/c1-9-11(7-10(8-12)19-9)20(17,18)14-3-2-5-16-6-4-13-15-16/h4,6-7,14H,2-3,5,8,12H2,1H3
InChIKeyGETCTRVZBDNFOT-UHFFFAOYSA-N
XLogP0.48
TPSA102.90 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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077061
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077026
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077153
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide (CID 106077042) is 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCCCn1ccnn1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide?
The InChIKey is GETCTRVZBDNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-9-11(7-10(8-12)19-9)20(17,18)14-3-2-5-16-6-4-13-15-16/h4,6-7,14H,2-3,5,8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).