N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

C14H20N4O2S — CID 56877158

IUPACN-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(CC(C)NS(=O)(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C14H20N4O2S/c1-11-8-14(17-16-11)9-12(2)18-21(19,20)15-10-13-6-4-3-5-7-13/h3-8,12,15,18H,9-10H2,1-2H3,(H,16,17)
InChIKeyGMPDSIKXIGCKNC-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds7

About N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (PubChem CID 56877158) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
PubChem CID56877158
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(CC(C)NS(=O)(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C14H20N4O2S/c1-11-8-14(17-16-11)9-12(2)18-21(19,20)15-10-13-6-4-3-5-7-13/h3-8,12,15,18H,9-10H2,1-2H3,(H,16,17)
InChIKeyGMPDSIKXIGCKNC-UHFFFAOYSA-N
XLogP1.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The IUPAC name of N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (CID 56877158) is N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The canonical SMILES for N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is Cc1cc(CC(C)NS(=O)(=O)NCc2ccccc2)n[nH]1.
What is the InChIKey of N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The InChIKey is GMPDSIKXIGCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-8-14(17-16-11)9-12(2)18-21(19,20)15-10-13-6-4-3-5-7-13/h3-8,12,15,18H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine has a molecular weight of 308.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 56877158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).