N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

C12H24N4O2S — CID 62063301

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-6-12(7-2,8-13)15-19(17,18)11-9(3)14-16(5)10(11)4/h15H,6-8,13H2,1-5H3
InChIKeyKDRDPWNHBHIXNS-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.83
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62063301) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62063301
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-6-12(7-2,8-13)15-19(17,18)11-9(3)14-16(5)10(11)4/h15H,6-8,13H2,1-5H3
InChIKeyKDRDPWNHBHIXNS-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62063301) is N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KDRDPWNHBHIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-6-12(7-2,8-13)15-19(17,18)11-9(3)14-16(5)10(11)4/h15H,6-8,13H2,1-5H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62063301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).