3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide

C14H28N4O2S — CID 107818668

IUPAC3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-12(3)17-18-13(14)10-15/h11,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyJOMHGKGRZWFOII-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.06
Rot. Bonds10

About 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107818668) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
PubChem CID107818668
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-12(3)17-18-13(14)10-15/h11,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyJOMHGKGRZWFOII-UHFFFAOYSA-N
XLogP2.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106094251
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106018151
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106064166
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide (CID 107818668) is 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCCCCCCC(C)C.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JOMHGKGRZWFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-12(3)17-18-13(14)10-15/h11,16H,4-10,15H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107818668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).