N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide

C15H24N2O2S2 — CID 154788129

IUPACN-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide
SMILESCc1nc2c(s1)C(N(C)S(=O)(=O)CC1CC(C)C1)CCC2
InChIInChI=1S/C15H24N2O2S2/c1-10-7-12(8-10)9-21(18,19)17(3)14-6-4-5-13-15(14)20-11(2)16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyKGXKIRGUARLRQJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide

N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide (PubChem CID 154788129) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide
PubChem CID154788129
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide
SMILESCc1nc2c(s1)C(N(C)S(=O)(=O)CC1CC(C)C1)CCC2
InChIInChI=1S/C15H24N2O2S2/c1-10-7-12(8-10)9-21(18,19)17(3)14-6-4-5-13-15(14)20-11(2)16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyKGXKIRGUARLRQJ-UHFFFAOYSA-N
XLogP3.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide?
The IUPAC name of N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide (CID 154788129) is N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide is Cc1nc2c(s1)C(N(C)S(=O)(=O)CC1CC(C)C1)CCC2.
What is the InChIKey of N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide?
The InChIKey is KGXKIRGUARLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-7-12(8-10)9-21(18,19)17(3)14-6-4-5-13-15(14)20-11(2)16-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide?
N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclobutyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)methanesulfonamide is sourced from PubChem (CID 154788129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).