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

C12H24N4O2S — CID 63767372

IUPACN-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H24N4O2S/c1-5-11(6-2)16(8-7-13)19(17,18)12-9(3)14-15-10(12)4/h11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHFQJDPULFBRDMO-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.16
Rot. Bonds7

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

N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 63767372) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID63767372
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H24N4O2S/c1-5-11(6-2)16(8-7-13)19(17,18)12-9(3)14-15-10(12)4/h11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHFQJDPULFBRDMO-UHFFFAOYSA-N
XLogP1.16
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.16
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-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide (CID 63767372) is N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide is CCC(CC)N(CCN)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is HFQJDPULFBRDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-11(6-2)16(8-7-13)19(17,18)12-9(3)14-15-10(12)4/h11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.16, 7 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-pentan-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63767372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).