(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine

C11H15ClN2O3S — CID 51682945

IUPAC(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O3S/c1-8-7-17-9(2)6-14(8)18(15,16)10-3-4-11(12)13-5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBFIWQOFRGNHTEW-BDAKNGLRSA-N
MW290.77 g/mol
LogP1.53
Rot. Bonds2

About (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine

(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine (PubChem CID 51682945) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
PubChem CID51682945
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O3S/c1-8-7-17-9(2)6-14(8)18(15,16)10-3-4-11(12)13-5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBFIWQOFRGNHTEW-BDAKNGLRSA-N
XLogP1.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
2-chloro-5-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 47304224
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157
(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine?
The IUPAC name of (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine (CID 51682945) is (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine is C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine?
The InChIKey is BFIWQOFRGNHTEW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8-7-17-9(2)6-14(8)18(15,16)10-3-4-11(12)13-5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine?
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine has a molecular weight of 290.77 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 51682945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).