(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C16H22N2OS — CID 64553388

IUPAC(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C16H22N2OS/c1-12-5-4-8-16(17,11-12)15(19)18-9-10-20-14-7-3-2-6-13(14)18/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyQJNIBXKAYPOFSQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.03
Rot. Bonds1

About (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 64553388) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID64553388
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCSc3ccccc32)C1
InChIInChI=1S/C16H22N2OS/c1-12-5-4-8-16(17,11-12)15(19)18-9-10-20-14-7-3-2-6-13(14)18/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyQJNIBXKAYPOFSQ-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 64553388) is (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is CC1CCCC(N)(C(=O)N2CCSc3ccccc32)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is QJNIBXKAYPOFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-4-8-16(17,11-12)15(19)18-9-10-20-14-7-3-2-6-13(14)18/h2-3,6-7,12H,4-5,8-11,17H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 290.43 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 64553388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).