4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide

C9H12N4O2S2 — CID 114134463

IUPAC4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(CN)cs2)cn1
InChIInChI=1S/C9H12N4O2S2/c1-13-5-8(4-11-13)12-17(14,15)9-2-7(3-10)6-16-9/h2,4-6,12H,3,10H2,1H3
InChIKeyLKBKKJPXXWWAFF-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 114134463) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID114134463
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(CN)cs2)cn1
InChIInChI=1S/C9H12N4O2S2/c1-13-5-8(4-11-13)12-17(14,15)9-2-7(3-10)6-16-9/h2,4-6,12H,3,10H2,1H3
InChIKeyLKBKKJPXXWWAFF-UHFFFAOYSA-N
XLogP0.74
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 106056783
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 106073992
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106053658
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide (CID 114134463) is 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide is Cn1cc(NS(=O)(=O)c2cc(CN)cs2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is LKBKKJPXXWWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-13-5-8(4-11-13)12-17(14,15)9-2-7(3-10)6-16-9/h2,4-6,12H,3,10H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114134463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).