N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide

C12H15N3O3S2 — CID 41232987

IUPACN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C12H15N3O3S2/c1-4-11(16)14-12-13-9-6-5-8(7-10(9)19-12)20(17,18)15(2)3/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyXIXOEOFQXKRZHU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.90
Rot. Bonds4

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide (PubChem CID 41232987) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
PubChem CID41232987
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C12H15N3O3S2/c1-4-11(16)14-12-13-9-6-5-8(7-10(9)19-12)20(17,18)15(2)3/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyXIXOEOFQXKRZHU-UHFFFAOYSA-N
XLogP1.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide
CID 5061232
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 41233025
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 20932194
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide (CID 41232987) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is XIXOEOFQXKRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-4-11(16)14-12-13-9-6-5-8(7-10(9)19-12)20(17,18)15(2)3/h5-7H,4H2,1-3H3,(H,13,14,16).
What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide?
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 41232987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).