N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide

C8H16N4O3S — CID 79503160

IUPACN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(CN)cnn1C
InChIInChI=1S/C8H16N4O3S/c1-12-8(7(5-9)6-10-12)11-16(13,14)4-3-15-2/h6,11H,3-5,9H2,1-2H3
InChIKeyPVCSTUQOKZVMMW-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.73
Rot. Bonds6

About N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide

N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide (PubChem CID 79503160) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide
PubChem CID79503160
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(CN)cnn1C
InChIInChI=1S/C8H16N4O3S/c1-12-8(7(5-9)6-10-12)11-16(13,14)4-3-15-2/h6,11H,3-5,9H2,1-2H3
InChIKeyPVCSTUQOKZVMMW-UHFFFAOYSA-N
XLogP-0.73
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide (CID 79503160) is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1c(CN)cnn1C.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide?
The InChIKey is PVCSTUQOKZVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-12-8(7(5-9)6-10-12)11-16(13,14)4-3-15-2/h6,11H,3-5,9H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 79503160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).