3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide

C10H16N4O2S — CID 106208401

IUPAC3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H16N4O2S/c1-3-4-5-6-7-12-17(15,16)9-8-14(2)13-10(9)11/h1,8,12H,4-7H2,2H3,(H2,11,13)
InChIKeyGSWMJWLTVLCHMB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.08
Rot. Bonds6

About 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide

3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide (PubChem CID 106208401) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
PubChem CID106208401
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H16N4O2S/c1-3-4-5-6-7-12-17(15,16)9-8-14(2)13-10(9)11/h1,8,12H,4-7H2,2H3,(H2,11,13)
InChIKeyGSWMJWLTVLCHMB-UHFFFAOYSA-N
XLogP0.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 64517993
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
3-amino-5-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208427
5-amino-4-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208464
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide (CID 106208401) is 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide is C#CCCCCNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is GSWMJWLTVLCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-4-5-6-7-12-17(15,16)9-8-14(2)13-10(9)11/h1,8,12H,4-7H2,2H3,(H2,11,13).
What are the key properties of 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide?
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 106208401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).