5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide

C10H13BrN4O2S2 — CID 106015627

IUPAC5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C10H13BrN4O2S2/c1-6-7(4-13-15-6)5-14-19(16,17)9-2-8(3-12)18-10(9)11/h2,4,14H,3,5,12H2,1H3,(H,13,15)
InChIKeyMGYQJHAHKLNAOR-UHFFFAOYSA-N
MW365.28 g/mol
LogP1.48
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106015627) has the molecular formula C10H13BrN4O2S2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
PubChem CID106015627
Molecular FormulaC10H13BrN4O2S2
Molecular Weight365.28 g/mol
Exact Mass363.97
IUPAC Name5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C10H13BrN4O2S2/c1-6-7(4-13-15-6)5-14-19(16,17)9-2-8(3-12)18-10(9)11/h2,4,14H,3,5,12H2,1H3,(H,13,15)
InChIKeyMGYQJHAHKLNAOR-UHFFFAOYSA-N
XLogP1.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015383
2-(aminomethyl)-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015204
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
5-(aminomethyl)-2-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106069840
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide (CID 106015627) is 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is MGYQJHAHKLNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2S2/c1-6-7(4-13-15-6)5-14-19(16,17)9-2-8(3-12)18-10(9)11/h2,4,14H,3,5,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 365.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106015627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).