N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide

C15H20N4O2S2 — CID 167850843

IUPACN,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C15H20N4O2S2/c1-19(2)23(20,21)11-7-8-14(16-9-11)17-10-15-18-12-5-3-4-6-13(12)22-15/h7-9H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyAHACNMJBCAZMRN-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.28
Rot. Bonds5

About N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide

N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 167850843) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide
PubChem CID167850843
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C15H20N4O2S2/c1-19(2)23(20,21)11-7-8-14(16-9-11)17-10-15-18-12-5-3-4-6-13(12)22-15/h7-9H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyAHACNMJBCAZMRN-UHFFFAOYSA-N
XLogP2.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide 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

N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
CID 103341074
N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
CID 107143521
N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
CID 138020920
6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 154860347
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 94282044
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
CID 103341110
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide (CID 167850843) is N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2nc3c(s2)CCCC3)nc1.
What is the InChIKey of N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is AHACNMJBCAZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-19(2)23(20,21)11-7-8-14(16-9-11)17-10-15-18-12-5-3-4-6-13(12)22-15/h7-9H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide?
N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 352.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 167850843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).