(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

C10H13ClN2S — CID 84625720

IUPAC(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCC1Nc2ccc(Cl)cc2SC1CN
InChIInChI=1S/C10H13ClN2S/c1-6-10(5-12)14-9-4-7(11)2-3-8(9)13-6/h2-4,6,10,13H,5,12H2,1H3
InChIKeyHFEVHYTZQAUWLU-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.57
Rot. Bonds1

About (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (PubChem CID 84625720) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
PubChem CID84625720
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCC1Nc2ccc(Cl)cc2SC1CN
InChIInChI=1S/C10H13ClN2S/c1-6-10(5-12)14-9-4-7(11)2-3-8(9)13-6/h2-4,6,10,13H,5,12H2,1H3
InChIKeyHFEVHYTZQAUWLU-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84630649
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84621174
(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624913
6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
CID 91621445
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
2-(5-chloro-3,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84636394
2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84643694
2-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzothiazine
CID 84630156
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
6-chloro-2,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 105449607
(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624949

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The IUPAC name of (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (CID 84625720) is (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.
What is the SMILES notation for (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The canonical SMILES for (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is CC1Nc2ccc(Cl)cc2SC1CN.
What is the InChIKey of (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The InChIKey is HFEVHYTZQAUWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-6-10(5-12)14-9-4-7(11)2-3-8(9)13-6/h2-4,6,10,13H,5,12H2,1H3.
What are the key properties of (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine has a molecular weight of 228.75 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is sourced from PubChem (CID 84625720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).