N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

C15H22N2O7S3 — CID 31334214

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESC[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O7S3/c1-15(6-11-25(18,19)12-15)16-26(20,21)13-2-4-14(5-3-13)27(22,23)17-7-9-24-10-8-17/h2-5,16H,6-12H2,1H3/t15-/m1/s1
InChIKeyHHEASXMZOQBKPA-OAHLLOKOSA-N
MW438.55 g/mol
LogP-0.44
Rot. Bonds5

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 31334214) has the molecular formula C15H22N2O7S3 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID31334214
Molecular FormulaC15H22N2O7S3
Molecular Weight438.55 g/mol
Exact Mass438.06
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESC[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O7S3/c1-15(6-11-25(18,19)12-15)16-26(20,21)13-2-4-14(5-3-13)27(22,23)17-7-9-24-10-8-17/h2-5,16H,6-12H2,1H3/t15-/m1/s1
InChIKeyHHEASXMZOQBKPA-OAHLLOKOSA-N
XLogP-0.44
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide with MolForge

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Related Compounds

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527524
4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630
2-chloro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 6600261
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 648544
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119973419
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 31334214) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is C[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is HHEASXMZOQBKPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O7S3/c1-15(6-11-25(18,19)12-15)16-26(20,21)13-2-4-14(5-3-13)27(22,23)17-7-9-24-10-8-17/h2-5,16H,6-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 31334214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).