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

C17H22N2OS2 — CID 7633482

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NC1CCCCCC1
InChIInChI=1S/C17H22N2OS2/c20-16(18-14-8-3-1-2-4-9-14)12-22-17-19-15-10-6-5-7-13(15)11-21-17/h5-7,10,14H,1-4,8-9,11-12H2,(H,18,20)
InChIKeyCARVZWUVTJZOKO-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.49
Rot. Bonds3

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

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide (PubChem CID 7633482) 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-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
PubChem CID7633482
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
SMILESO=C(CSC1=Nc2ccccc2CS1)NC1CCCCCC1
InChIInChI=1S/C17H22N2OS2/c20-16(18-14-8-3-1-2-4-9-14)12-22-17-19-15-10-6-5-7-13(15)11-21-17/h5-7,10,14H,1-4,8-9,11-12H2,(H,18,20)
InChIKeyCARVZWUVTJZOKO-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
CID 7613666
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
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-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 8004844
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 7633504
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide (CID 7633482) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide is O=C(CSC1=Nc2ccccc2CS1)NC1CCCCCC1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide?
The InChIKey is CARVZWUVTJZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c20-16(18-14-8-3-1-2-4-9-14)12-22-17-19-15-10-6-5-7-13(15)11-21-17/h5-7,10,14H,1-4,8-9,11-12H2,(H,18,20).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide has a molecular weight of 334.51 g/mol, XLogP of 4.49, 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-cycloheptylacetamide is sourced from PubChem (CID 7633482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).