N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H24N4O2S — CID 28708335

IUPACN-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(9-8-14)12-6-4-3-5-7-12/h12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyUSHBRQAHOGWRAC-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.31
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 28708335) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID28708335
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(9-8-14)12-6-4-3-5-7-12/h12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyUSHBRQAHOGWRAC-UHFFFAOYSA-N
XLogP1.31
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 28708335) is N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCN)C1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is USHBRQAHOGWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(9-8-14)12-6-4-3-5-7-12/h12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28708335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).