(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine

C15H20N4O3S — CID 97073134

IUPAC(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCc1ccnc(-n2cc(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)cn2)c1
InChIInChI=1S/C15H20N4O3S/c1-11-4-5-16-15(6-11)18-9-14(7-17-18)23(20,21)19-8-13(3)22-10-12(19)2/h4-7,9,12-13H,8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyXFNUOMFJHMQCET-QWHCGFSZSA-N
MW336.42 g/mol
LogP1.37
Rot. Bonds3

About (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine

(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine (PubChem CID 97073134) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine
PubChem CID97073134
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCc1ccnc(-n2cc(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)cn2)c1
InChIInChI=1S/C15H20N4O3S/c1-11-4-5-16-15(6-11)18-9-14(7-17-18)23(20,21)19-8-13(3)22-10-12(19)2/h4-7,9,12-13H,8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyXFNUOMFJHMQCET-QWHCGFSZSA-N
XLogP1.37
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
1-[(4-chlorophenyl)methyl]-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonyl-1,4-diazepane
CID 75386359
3-[4-(2,5-dimethylmorpholin-4-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 43544547
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 35406577
4,4-difluoro-1-methyl-N-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylcyclohexane-1-carboxamide
CID 167848161
N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 166234786
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine (CID 97073134) is (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine is Cc1ccnc(-n2cc(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)cn2)c1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine?
The InChIKey is XFNUOMFJHMQCET-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-4-5-16-15(6-11)18-9-14(7-17-18)23(20,21)19-8-13(3)22-10-12(19)2/h4-7,9,12-13H,8,10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine?
(2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine has a molecular weight of 336.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-4-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 97073134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).