1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide

C12H20N4O4S — CID 156608033

IUPAC1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2COCC2N2CCOCC2)cn1
InChIInChI=1S/C12H20N4O4S/c1-15-7-10(6-13-15)21(17,18)14-11-8-20-9-12(11)16-2-4-19-5-3-16/h6-7,11-12,14H,2-5,8-9H2,1H3
InChIKeyJZXPUXXJOALLPA-UHFFFAOYSA-N
MW316.38 g/mol
LogP-1.20
Rot. Bonds4

About 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide

1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 156608033) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID156608033
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2COCC2N2CCOCC2)cn1
InChIInChI=1S/C12H20N4O4S/c1-15-7-10(6-13-15)21(17,18)14-11-8-20-9-12(11)16-2-4-19-5-3-16/h6-7,11-12,14H,2-5,8-9H2,1H3
InChIKeyJZXPUXXJOALLPA-UHFFFAOYSA-N
XLogP-1.20
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide (CID 156608033) is 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2COCC2N2CCOCC2)cn1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is JZXPUXXJOALLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-7-10(6-13-15)21(17,18)14-11-8-20-9-12(11)16-2-4-19-5-3-16/h6-7,11-12,14H,2-5,8-9H2,1H3.
What are the key properties of 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide?
1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-yloxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 156608033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).