N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H24N4O2S — CID 63766393

IUPACN-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C12H24N4O2S/c1-8(2)6-11(7-13)15-19(17,18)12-9(3)14-16(5)10(12)4/h8,11,15H,6-7,13H2,1-5H3
InChIKeyRYVUAZUXEOECIC-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.69
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 63766393) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID63766393
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C12H24N4O2S/c1-8(2)6-11(7-13)15-19(17,18)12-9(3)14-16(5)10(12)4/h8,11,15H,6-7,13H2,1-5H3
InChIKeyRYVUAZUXEOECIC-UHFFFAOYSA-N
XLogP0.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 63766393) is N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is RYVUAZUXEOECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-8(2)6-11(7-13)15-19(17,18)12-9(3)14-16(5)10(12)4/h8,11,15H,6-7,13H2,1-5H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 63766393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).