(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine

C15H25N3O4S — CID 129430932

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)cn1
InChIInChI=1S/C15H25N3O4S/c1-2-17-11-13(10-16-17)15-12-18(6-8-22-15)23(19,20)9-5-14-4-3-7-21-14/h10-11,14-15H,2-9,12H2,1H3/t14-,15+/m1/s1
InChIKeyCNJHPFBKMFXLHQ-CABCVRRESA-N
MW343.45 g/mol
LogP1.18
Rot. Bonds6

About (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine

(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine (PubChem CID 129430932) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine
PubChem CID129430932
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)cn1
InChIInChI=1S/C15H25N3O4S/c1-2-17-11-13(10-16-17)15-12-18(6-8-22-15)23(19,20)9-5-14-4-3-7-21-14/h10-11,14-15H,2-9,12H2,1H3/t14-,15+/m1/s1
InChIKeyCNJHPFBKMFXLHQ-CABCVRRESA-N
XLogP1.18
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024
2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
CID 129000221
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
CID 99827489
(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400028
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
3-[[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 129399974
3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonyl-4-methylbenzonitrile
CID 128999495
(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
CID 129400016
5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
CID 129001445
(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
CID 99827501

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine (CID 129430932) is (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine is CCn1cc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)cn1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine?
The InChIKey is CNJHPFBKMFXLHQ-CABCVRRESA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-2-17-11-13(10-16-17)15-12-18(6-8-22-15)23(19,20)9-5-14-4-3-7-21-14/h10-11,14-15H,2-9,12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine?
(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine has a molecular weight of 343.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine is sourced from PubChem (CID 129430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).