2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine

C11H19N3O3S — CID 138051484

IUPAC2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccnn2C)C1
InChIInChI=1S/C11H19N3O3S/c1-3-8-18(15,16)14-6-7-17-11(9-14)10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3
InChIKeyKFVHYZSWFGPNHM-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.53
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine

2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine (PubChem CID 138051484) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
PubChem CID138051484
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccnn2C)C1
InChIInChI=1S/C11H19N3O3S/c1-3-8-18(15,16)14-6-7-17-11(9-14)10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3
InChIKeyKFVHYZSWFGPNHM-UHFFFAOYSA-N
XLogP0.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
(2S)-2-(2-methylpyrazol-3-yl)-N-(1,2-oxazol-3-ylmethyl)morpholine-4-carboxamide
CID 164640734
2-(1-propylsulfonylpyrrolidin-3-yl)pyrimidin-4-amine
CID 91262892
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine
CID 129430932
[(2S,3S)-4-methyl-3-(2-methylpyrazol-3-yl)morpholin-2-yl]methanamine
CID 124602691
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
CID 60952065
2-ethyl-4-(2-propylpyrazol-3-yl)sulfonylmorpholine
CID 131910815

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine (CID 138051484) is 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOC(c2ccnn2C)C1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine?
The InChIKey is KFVHYZSWFGPNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-8-18(15,16)14-6-7-17-11(9-14)10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine?
2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine has a molecular weight of 273.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine is sourced from PubChem (CID 138051484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).