4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide

C9H12N4O2S2 — CID 61301349

IUPAC4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H12N4O2S2/c1-6-7(3-11-13-6)4-12-17(14,15)9-2-8(10)5-16-9/h2-3,5,12H,4,10H2,1H3,(H,11,13)
InChIKeyQOOPNJDQURNNSH-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.84
Rot. Bonds4

About 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide

4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 61301349) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID61301349
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H12N4O2S2/c1-6-7(3-11-13-6)4-12-17(14,15)9-2-8(10)5-16-9/h2-3,5,12H,4,10H2,1H3,(H,11,13)
InChIKeyQOOPNJDQURNNSH-UHFFFAOYSA-N
XLogP0.84
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 114166204
5-(ethylaminomethyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015104
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107328854

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 61301349) is 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QOOPNJDQURNNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6-7(3-11-13-6)4-12-17(14,15)9-2-8(10)5-16-9/h2-3,5,12H,4,10H2,1H3,(H,11,13).
What are the key properties of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61301349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).