N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H21N3O6S2 — CID 56556817

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H21N3O6S2/c19-15(17-6-10-25(20,21)11-7-17)16-13-2-1-3-14(12-13)26(22,23)18-4-8-24-9-5-18/h1-3,12H,4-11H2,(H,16,19)
InChIKeyXHZIWYYRXZGEKC-UHFFFAOYSA-N
MW403.48 g/mol
LogP-0.03
Rot. Bonds3

About N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 56556817) has the molecular formula C15H21N3O6S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID56556817
Molecular FormulaC15H21N3O6S2
Molecular Weight403.48 g/mol
Exact Mass403.09
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H21N3O6S2/c19-15(17-6-10-25(20,21)11-7-17)16-13-2-1-3-14(12-13)26(22,23)18-4-8-24-9-5-18/h1-3,12H,4-11H2,(H,16,19)
InChIKeyXHZIWYYRXZGEKC-UHFFFAOYSA-N
XLogP-0.03
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
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CID 4800329
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
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CID 42991896

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 56556817) is N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is XHZIWYYRXZGEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S2/c19-15(17-6-10-25(20,21)11-7-17)16-13-2-1-3-14(12-13)26(22,23)18-4-8-24-9-5-18/h1-3,12H,4-11H2,(H,16,19).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 56556817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).