(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride

C6H12ClNO3S — CID 94843085

IUPAC(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyFGFHSVAFDFWLMD-RITPCOANSA-N
MW213.69 g/mol
LogP0.58
Rot. Bonds1

About (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride

(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride (PubChem CID 94843085) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
PubChem CID94843085
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyFGFHSVAFDFWLMD-RITPCOANSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
4-ethenylsulfonyl-2,5-dimethylmorpholine
CID 130543907
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 100567938
(2R,5S)-2,5-dimethyl-4-morpholin-4-ylsulfonylmorpholine
CID 98798030
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 35406723
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride?
The IUPAC name of (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride (CID 94843085) is (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride.
What is the SMILES notation for (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride?
The canonical SMILES for (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride is C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)Cl.
What is the InChIKey of (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride?
The InChIKey is FGFHSVAFDFWLMD-RITPCOANSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride?
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride has a molecular weight of 213.69 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride is sourced from PubChem (CID 94843085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).