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

C14H28N4O2S — CID 107818690

IUPAC4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCCCCCCC(C)C)c1CN
InChIInChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-13(10-15)12(3)17-18-14/h11,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyHRLUTYGUIVLJTI-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.06
Rot. Bonds10

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

4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide (PubChem CID 107818690) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
PubChem CID107818690
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCCCCCCC(C)C)c1CN
InChIInChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-13(10-15)12(3)17-18-14/h11,16H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyHRLUTYGUIVLJTI-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-(7-methyloctyl)-1H-pyrazole-4-sulfonamide
CID 107818668
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106059200
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106068334
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
4-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106065157

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide (CID 107818690) is 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NCCCCCCC(C)C)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is HRLUTYGUIVLJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-11(2)8-6-4-5-7-9-16-21(19,20)14-13(10-15)12(3)17-18-14/h11,16H,4-10,15H2,1-3H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-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 4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 107818690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).