N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide

C13H24N4O3S — CID 122560120

IUPACN-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-3-6-17-13(4-5-14-17)21(18,19)15-12(2)11-16-7-9-20-10-8-16/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyZGFDDSMPFWPEDM-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.29
Rot. Bonds7

About N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide

N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide (PubChem CID 122560120) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
PubChem CID122560120
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-3-6-17-13(4-5-14-17)21(18,19)15-12(2)11-16-7-9-20-10-8-16/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyZGFDDSMPFWPEDM-UHFFFAOYSA-N
XLogP0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide (CID 122560120) is N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NC(C)CN1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide?
The InChIKey is ZGFDDSMPFWPEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-6-17-13(4-5-14-17)21(18,19)15-12(2)11-16-7-9-20-10-8-16/h4-5,12,15H,3,6-11H2,1-2H3.
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide?
N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 122560120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).