5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H14N4O4S — CID 54908302

IUPAC5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C8H14N4O4S/c9-8-7(4-10-12-8)17(13,14)11-3-6-5-15-1-2-16-6/h4,6,11H,1-3,5H2,(H3,9,10,12)
InChIKeyAJSZXOBRZNXMOV-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.31
Rot. Bonds4

About 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54908302) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54908302
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C8H14N4O4S/c9-8-7(4-10-12-8)17(13,14)11-3-6-5-15-1-2-16-6/h4,6,11H,1-3,5H2,(H3,9,10,12)
InChIKeyAJSZXOBRZNXMOV-UHFFFAOYSA-N
XLogP-1.31
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 54908302) is 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1COCCO1.
What is the InChIKey of 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AJSZXOBRZNXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c9-8-7(4-10-12-8)17(13,14)11-3-6-5-15-1-2-16-6/h4,6,11H,1-3,5H2,(H3,9,10,12).
What are the key properties of 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54908302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).