1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide

C15H20N2O8S — CID 175428968

IUPAC1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@H](C)[C@H](O)[C@@H]1O.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H15NO5.C7H5NO3S/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h3,5-8,11-13H,1-2H3,(H,9,10);1-4H,(H,8,9)/t3-,5-,6+,7-,8?;/m1./s1
InChIKeyISWKMGLIPBJWKJ-PEDVTDDLSA-N
MW388.40 g/mol
LogP-1.93
Rot. Bonds1

About 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide

1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 175428968) has the molecular formula C15H20N2O8S and a molecular weight of 388.40 g/mol. Its IUPAC name is 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

Compound Name1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
PubChem CID175428968
Molecular FormulaC15H20N2O8S
Molecular Weight388.40 g/mol
Exact Mass388.09
IUPAC Name1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@H](C)[C@H](O)[C@@H]1O.O=C1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H15NO5.C7H5NO3S/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h3,5-8,11-13H,1-2H3,(H,9,10);1-4H,(H,8,9)/t3-,5-,6+,7-,8?;/m1./s1
InChIKeyISWKMGLIPBJWKJ-PEDVTDDLSA-N
XLogP-1.93
TPSA162.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
acetic acid;bis(1,1-dioxo-1,2-benzothiazol-3-one)
CID 172774685
1,1-dioxo-1,2-benzothiazol-3-one;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 68782831
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
CID 67677158
CID 67677158
sodium;1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 18324648
tris(1,1-dioxo-1,2-benzothiazol-3-one);iron;hydrate
CID 66878202
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
CID 174881995
CID 174881995

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The IUPAC name of 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide (CID 175428968) is 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide.
What is the SMILES notation for 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The canonical SMILES for 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1C(O)O[C@H](C)[C@H](O)[C@@H]1O.O=C1NS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
The InChIKey is ISWKMGLIPBJWKJ-PEDVTDDLSA-N. The full InChI is InChI=1S/C8H15NO5.C7H5NO3S/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h3,5-8,11-13H,1-2H3,(H,9,10);1-4H,(H,8,9)/t3-,5-,6+,7-,8?;/m1./s1.
What are the key properties of 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide?
1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide has a molecular weight of 388.40 g/mol, XLogP of -1.93, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1,2-benzothiazol-3-one;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 175428968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).