2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide

C17H22N2OS2 — CID 8004950

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSC2=Nc3ccccc3CS2)CC1
InChIInChI=1S/C17H22N2OS2/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-19-15-5-3-2-4-13(15)10-21-17/h2-5,12,14H,6-11H2,1H3,(H,18,20)
InChIKeyKYEGVMDCOHAFFK-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.35
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 8004950) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
PubChem CID8004950
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSC2=Nc3ccccc3CS2)CC1
InChIInChI=1S/C17H22N2OS2/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-19-15-5-3-2-4-13(15)10-21-17/h2-5,12,14H,6-11H2,1H3,(H,18,20)
InChIKeyKYEGVMDCOHAFFK-UHFFFAOYSA-N
XLogP4.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
CID 7633482
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-propan-2-ylacetamide
CID 8004897
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
dimethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46626843
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
CID 7613666
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone
CID 8004922
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 8004844

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide (CID 8004950) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSC2=Nc3ccccc3CS2)CC1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is KYEGVMDCOHAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-19-15-5-3-2-4-13(15)10-21-17/h2-5,12,14H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 334.51 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 8004950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).