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

C10H20N4O2S — CID 28708027

IUPACN-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCN)C(C)C
InChIInChI=1S/C10H20N4O2S/c1-7(2)14(6-5-11)17(15,16)10-8(3)12-13-9(10)4/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyYBYGVACROOWDJV-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.38
Rot. Bonds5

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

N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide (PubChem CID 28708027) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
PubChem CID28708027
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCN)C(C)C
InChIInChI=1S/C10H20N4O2S/c1-7(2)14(6-5-11)17(15,16)10-8(3)12-13-9(10)4/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyYBYGVACROOWDJV-UHFFFAOYSA-N
XLogP0.38
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide (CID 28708027) is N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCN)C(C)C.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is YBYGVACROOWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-7(2)14(6-5-11)17(15,16)10-8(3)12-13-9(10)4/h7H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28708027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).