6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

C19H25N3O5S2 — CID 97044319

IUPAC6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O5S2/c1-14-4-2-3-7-22(14)29(25,26)15-5-6-16-17(12-15)28-19(24)21(16)13-18(23)20-8-10-27-11-9-20/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyZSYYVCOHCYVYOF-AWEZNQCLSA-N
MW439.56 g/mol
LogP1.48
Rot. Bonds4

About 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (PubChem CID 97044319) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
PubChem CID97044319
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O5S2/c1-14-4-2-3-7-22(14)29(25,26)15-5-6-16-17(12-15)28-19(24)21(16)13-18(23)20-8-10-27-11-9-20/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyZSYYVCOHCYVYOF-AWEZNQCLSA-N
XLogP1.48
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one with MolForge

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Related Compounds

6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one
CID 53081101
6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
CID 53080509
3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-one
CID 53007192
N-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080466
N-(2,3-dimethylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080479
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590658
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinazolin-2-one
CID 124770684
N-[(2-methoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080516
2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenyl-1,3-benzothiazole-6-sulfonamide
CID 53080446
N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080581
methyl 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051836
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (CID 97044319) is 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1.
What is the InChIKey of 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The InChIKey is ZSYYVCOHCYVYOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-14-4-2-3-7-22(14)29(25,26)15-5-6-16-17(12-15)28-19(24)21(16)13-18(23)20-8-10-27-11-9-20/h5-6,12,14H,2-4,7-11,13H2,1H3/t14-/m0/s1.
What are the key properties of 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one has a molecular weight of 439.56 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 97044319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).