2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide

C14H17N3O4S2 — CID 3241910

IUPAC2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C14H17N3O4S2/c1-10-16-12-3-2-11(8-13(12)22-10)23(19,20)15-9-14(18)17-4-6-21-7-5-17/h2-3,8,15H,4-7,9H2,1H3
InChIKeyDLOYZIAGRIAFIW-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.74
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide

2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 3241910) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide
PubChem CID3241910
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C14H17N3O4S2/c1-10-16-12-3-2-11(8-13(12)22-10)23(19,20)15-9-14(18)17-4-6-21-7-5-17/h2-3,8,15H,4-7,9H2,1H3
InChIKeyDLOYZIAGRIAFIW-UHFFFAOYSA-N
XLogP0.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide (CID 3241910) is 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide is Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCOCC3)cc2s1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is DLOYZIAGRIAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-16-12-3-2-11(8-13(12)22-10)23(19,20)15-9-14(18)17-4-6-21-7-5-17/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide?
2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 3241910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).