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

C12H18N4O2S2 — CID 106076963

IUPAC5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C12H18N4O2S2/c1-8-10(7-16(3)15-8)6-14-20(17,18)12-4-11(5-13)19-9(12)2/h4,7,14H,5-6,13H2,1-3H3
InChIKeyDYVDWARNFXMDJA-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.04
Rot. Bonds5

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

5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 106076963) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
PubChem CID106076963
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1cc(CN)sc1C
InChIInChI=1S/C12H18N4O2S2/c1-8-10(7-16(3)15-8)6-14-20(17,18)12-4-11(5-13)19-9(12)2/h4,7,14H,5-6,13H2,1-3H3
InChIKeyDYVDWARNFXMDJA-UHFFFAOYSA-N
XLogP1.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 106076915
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383282
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106076914
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106062661
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
5-amino-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzenesulfonamide
CID 115989061
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 115989498
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide (CID 106076963) is 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1cc(CN)sc1C.
What is the InChIKey of 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is DYVDWARNFXMDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-8-10(7-16(3)15-8)6-14-20(17,18)12-4-11(5-13)19-9(12)2/h4,7,14H,5-6,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106076963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).