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

C16H20N2OS2 — CID 7614087

IUPAC(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide
SMILESC[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2OS2/c1-11(15(19)17-13-7-3-4-8-13)21-16-18-14-9-5-2-6-12(14)10-20-16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyJPGCWJFWERDYAF-LLVKDONJSA-N
MW320.48 g/mol
LogP4.10
Rot. Bonds3

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

(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide (PubChem CID 7614087) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide
PubChem CID7614087
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide
SMILESC[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2OS2/c1-11(15(19)17-13-7-3-4-8-13)21-16-18-14-9-5-2-6-12(14)10-20-16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyJPGCWJFWERDYAF-LLVKDONJSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide
CID 7633885
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-methyl-N-phenylpropanamide
CID 8004927
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 46626706
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17414628
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one
CID 7634002
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 2648064
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide (CID 7614087) is (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide is C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide?
The InChIKey is JPGCWJFWERDYAF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11(15(19)17-13-7-3-4-8-13)21-16-18-14-9-5-2-6-12(14)10-20-16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide?
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide is sourced from PubChem (CID 7614087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).