6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

C13H17N3O2S3 — CID 66384420

IUPAC6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)C1CSCCN1Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3O2S3/c1-21(17,18)12-8-19-5-4-16(12)7-9-2-3-10-11(6-9)20-13(14)15-10/h2-3,6,12H,4-5,7-8H2,1H3,(H2,14,15)
InChIKeyKZKJVKVBDKBNBT-UHFFFAOYSA-N
MW343.50 g/mol
LogP1.80
Rot. Bonds3

About 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 66384420) has the molecular formula C13H17N3O2S3 and a molecular weight of 343.50 g/mol. Its IUPAC name is 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID66384420
Molecular FormulaC13H17N3O2S3
Molecular Weight343.50 g/mol
Exact Mass343.05
IUPAC Name6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)C1CSCCN1Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3O2S3/c1-21(17,18)12-8-19-5-4-16(12)7-9-2-3-10-11(6-9)20-13(14)15-10/h2-3,6,12H,4-5,7-8H2,1H3,(H2,14,15)
InChIKeyKZKJVKVBDKBNBT-UHFFFAOYSA-N
XLogP1.80
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine 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

6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348464
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79773868
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]benzohydrazide
CID 66382662
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 65348371
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 114547126
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 104959176
6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348952
3-amino-4-[(3-methylsulfonylthiomorpholin-4-yl)methyl]benzamide
CID 66382955

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 66384420) is 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is CS(=O)(=O)C1CSCCN1Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is KZKJVKVBDKBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S3/c1-21(17,18)12-8-19-5-4-16(12)7-9-2-3-10-11(6-9)20-13(14)15-10/h2-3,6,12H,4-5,7-8H2,1H3,(H2,14,15).
What are the key properties of 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 343.50 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 66384420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).