N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide

C15H21N3O3S2 — CID 17493574

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)CC(C)O1
InChIInChI=1S/C15H21N3O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)17(3)10-15-16-13-6-4-5-7-14(13)22-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyUSAGPZWZIKJZHW-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.08
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide

N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide (PubChem CID 17493574) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
PubChem CID17493574
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)CC(C)O1
InChIInChI=1S/C15H21N3O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)17(3)10-15-16-13-6-4-5-7-14(13)22-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyUSAGPZWZIKJZHW-UHFFFAOYSA-N
XLogP2.08
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-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

4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55512165
3-(1,3-benzothiazol-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27660934
(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
CID 94173454
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18087174
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
N-(1,3-benzothiazol-2-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 9189865
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 44922647
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 71983420
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide (CID 17493574) is N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(C)Cc2nc3ccccc3s2)CC(C)O1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide?
The InChIKey is USAGPZWZIKJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-11-8-18(9-12(2)21-11)23(19,20)17(3)10-15-16-13-6-4-5-7-14(13)22-15/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide?
N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 17493574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).