N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C14H17N3O4S2 — CID 1271512

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
InChIInChI=1S/C14H17N3O4S2/c1-23(19,20)10-2-3-11-12(8-10)22-14(15-11)16-13(18)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,16,18)
InChIKeyVFWLTERDEYTHEO-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.97
Rot. Bonds4

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 1271512) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID1271512
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
InChIInChI=1S/C14H17N3O4S2/c1-23(19,20)10-2-3-11-12(8-10)22-14(15-11)16-13(18)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,16,18)
InChIKeyVFWLTERDEYTHEO-UHFFFAOYSA-N
XLogP0.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 2931603
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
N-(5-Acetylamino-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 3163704
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997
2-Acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
CID 660642
6-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 2962157
N-(6-Methanesulfonyl-benzothiazol-2-yl)-2-methoxy-acetamide
CID 650640
2-Azepan-1-yl-N-(6-methanesulfonyl-benzothiazol-2-yl)-acetamide
CID 650782
2-morpholin-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 883409
N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
CID 943211
N-{6-[(diallylamino)sulfonyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
CID 993382
N-{5-nitro-1,3-benzothiazol-2-yl}-2-(4-morpholinyl)acetamide
CID 1240594

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 1271512) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is VFWLTERDEYTHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-23(19,20)10-2-3-11-12(8-10)22-14(15-11)16-13(18)9-17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,16,18).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 355.44 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1271512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).