2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

C12H17ClN2S — CID 84636399

IUPAC2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1c2cc(Cl)ccc2SCC1C
InChIInChI=1S/C12H17ClN2S/c1-9-8-16-12-4-3-10(13)7-11(12)15(9)6-5-14-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyOFDSELDPSQBWDQ-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.86
Rot. Bonds3

About 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (PubChem CID 84636399) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
PubChem CID84636399
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1c2cc(Cl)ccc2SCC1C
InChIInChI=1S/C12H17ClN2S/c1-9-8-16-12-4-3-10(13)7-11(12)15(9)6-5-14-2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyOFDSELDPSQBWDQ-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621868
2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84636363
2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84628582
2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84640231
7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 84634754
3-(3-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84640986
2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine
CID 91378467
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 117201016
6-chloro-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61388107
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
5-chloro-3-pent-4-enyl-2H-1,3-benzothiazole
CID 67977252
6-chloro-3-methyl-2,3-dihydrothiochromen-4-one
CID 43538240

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (CID 84636399) is 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is CNCCN1c2cc(Cl)ccc2SCC1C.
What is the InChIKey of 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The InChIKey is OFDSELDPSQBWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-9-8-16-12-4-3-10(13)7-11(12)15(9)6-5-14-2/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine has a molecular weight of 256.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is sourced from PubChem (CID 84636399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).