2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C13H14N2O3S2 — CID 4880510

IUPAC2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C13H14N2O3S2/c1-7-5-9(7)12(16)15-13-14-10-4-3-8(20(2,17)18)6-11(10)19-13/h3-4,6-7,9H,5H2,1-2H3,(H,14,15,16)
InChIKeyKTEATNOTFOTAKL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 4880510) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID4880510
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C13H14N2O3S2/c1-7-5-9(7)12(16)15-13-14-10-4-3-8(20(2,17)18)6-11(10)19-13/h3-4,6-7,9H,5H2,1-2H3,(H,14,15,16)
InChIKeyKTEATNOTFOTAKL-UHFFFAOYSA-N
XLogP2.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzothiazolamine, 6-(methylsulfonyl)-
CID 87152
N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 2931603
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
Acetamide, N-2-benzothiazolyl-
CID 350459
N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
CID 9551574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 4880510) is 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is KTEATNOTFOTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-7-5-9(7)12(16)15-13-14-10-4-3-8(20(2,17)18)6-11(10)19-13/h3-4,6-7,9H,5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4880510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).