4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine

C10H17N3O3S — CID 110132368

IUPAC4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
SMILESCCCS(=O)(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C10H17N3O3S/c1-2-7-17(14,15)13-5-6-16-8-10(13)9-3-4-11-12-9/h3-4,10H,2,5-8H2,1H3,(H,11,12)
InChIKeyUAMJLKPRHFKRTN-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.52
Rot. Bonds4

About 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine

4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 110132368) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
PubChem CID110132368
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
SMILESCCCS(=O)(=O)N1CCOCC1c1ccn[nH]1
InChIInChI=1S/C10H17N3O3S/c1-2-7-17(14,15)13-5-6-16-8-10(13)9-3-4-11-12-9/h3-4,10H,2,5-8H2,1H3,(H,11,12)
InChIKeyUAMJLKPRHFKRTN-UHFFFAOYSA-N
XLogP0.52
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine (CID 110132368) is 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine is CCCS(=O)(=O)N1CCOCC1c1ccn[nH]1.
What is the InChIKey of 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is UAMJLKPRHFKRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-7-17(14,15)13-5-6-16-8-10(13)9-3-4-11-12-9/h3-4,10H,2,5-8H2,1H3,(H,11,12).
What are the key properties of 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine?
4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 259.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 110132368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).