N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide

C8H16N4O3S — CID 63766211

IUPACN-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(N)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H16N4O3S/c1-12(5-7(9)6-15-2)16(13,14)8-3-10-11-4-8/h3-4,7H,5-6,9H2,1-2H3,(H,10,11)
InChIKeyUNMZHRLLJRRNDH-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.00
Rot. Bonds6

About N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide

N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 63766211) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID63766211
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(N)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H16N4O3S/c1-12(5-7(9)6-15-2)16(13,14)8-3-10-11-4-8/h3-4,7H,5-6,9H2,1-2H3,(H,10,11)
InChIKeyUNMZHRLLJRRNDH-UHFFFAOYSA-N
XLogP-1.00
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide (CID 63766211) is N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide is COCC(N)CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UNMZHRLLJRRNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-12(5-7(9)6-15-2)16(13,14)8-3-10-11-4-8/h3-4,7H,5-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63766211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).