N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H26N4O2S — CID 62009456

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-13(7-2,9-14)17(8-3)20(18,19)12-10(4)15-16-11(12)5/h6-9,14H2,1-5H3,(H,15,16)
InChIKeyMMMNGAZHFBIVCQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 62009456) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID62009456
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-13(7-2,9-14)17(8-3)20(18,19)12-10(4)15-16-11(12)5/h6-9,14H2,1-5H3,(H,15,16)
InChIKeyMMMNGAZHFBIVCQ-UHFFFAOYSA-N
XLogP1.55
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 62009456) is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MMMNGAZHFBIVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-13(7-2,9-14)17(8-3)20(18,19)12-10(4)15-16-11(12)5/h6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).