5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide

C13H17N3O2S2 — CID 106062661

IUPAC5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(CN)sc2C)cn1
InChIInChI=1S/C13H17N3O2S2/c1-9-3-4-11(7-15-9)8-16-20(17,18)13-5-12(6-14)19-10(13)2/h3-5,7,16H,6,8,14H2,1-2H3
InChIKeyOTMPANIZUQGTHB-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.70
Rot. Bonds5

About 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide (PubChem CID 106062661) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
PubChem CID106062661
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(CN)sc2C)cn1
InChIInChI=1S/C13H17N3O2S2/c1-9-3-4-11(7-15-9)8-16-20(17,18)13-5-12(6-14)19-10(13)2/h3-5,7,16H,6,8,14H2,1-2H3
InChIKeyOTMPANIZUQGTHB-UHFFFAOYSA-N
XLogP1.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106062675
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 63009803
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
2-amino-5-bromo-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 106491747
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide (CID 106062661) is 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(CN)sc2C)cn1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide?
The InChIKey is OTMPANIZUQGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-3-4-11(7-15-9)8-16-20(17,18)13-5-12(6-14)19-10(13)2/h3-5,7,16H,6,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).