2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide

C14H20N2O5S2 — CID 7216463

IUPAC2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O5S2/c17-22(18)12-2-1-7-16(22)13-3-5-14(6-4-13)23(19,20)15-8-10-21-11-9-15/h3-6H,1-2,7-12H2
InChIKeyJTZHPOUBSHFETF-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide

2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide (PubChem CID 7216463) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
PubChem CID7216463
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O5S2/c17-22(18)12-2-1-7-16(22)13-3-5-14(6-4-13)23(19,20)15-8-10-21-11-9-15/h3-6H,1-2,7-12H2
InChIKeyJTZHPOUBSHFETF-UHFFFAOYSA-N
XLogP0.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide
CID 71796869
2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
CID 7517124
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 10142705
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 71796504
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide (CID 7216463) is 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide is O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide?
The InChIKey is JTZHPOUBSHFETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c17-22(18)12-2-1-7-16(22)13-3-5-14(6-4-13)23(19,20)15-8-10-21-11-9-15/h3-6H,1-2,7-12H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide?
2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide has a molecular weight of 360.46 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 7216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).