3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide

C10H20N4O4S — CID 54923092

IUPAC3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O4S/c1-13-8-9(10(11)12-13)19(15,16)14(4-6-17-2)5-7-18-3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyCNRQIQZCNPXMOB-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.71
Rot. Bonds8

About 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide

3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 54923092) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID54923092
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC Name3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O4S/c1-13-8-9(10(11)12-13)19(15,16)14(4-6-17-2)5-7-18-3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyCNRQIQZCNPXMOB-UHFFFAOYSA-N
XLogP-0.71
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide (CID 54923092) is 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide is COCCN(CCOC)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is CNRQIQZCNPXMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-13-8-9(10(11)12-13)19(15,16)14(4-6-17-2)5-7-18-3/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of -0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 54923092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).