3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide

C11H22N4O3S — CID 62985370

IUPAC3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCCOC)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-6-15-9-10(11(12)13-15)19(16,17)14(2)7-5-8-18-3/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeySHHHXTMCUPUJGG-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.53
Rot. Bonds8

About 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide

3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 62985370) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID62985370
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCCOC)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-6-15-9-10(11(12)13-15)19(16,17)14(2)7-5-8-18-3/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeySHHHXTMCUPUJGG-UHFFFAOYSA-N
XLogP0.53
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide (CID 62985370) is 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CCCOC)c(N)n1.
What is the InChIKey of 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is SHHHXTMCUPUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-4-6-15-9-10(11(12)13-15)19(16,17)14(2)7-5-8-18-3/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide?
3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 62985370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).