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

C18H24N2OS2 — CID 7633885

IUPAC(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24N2OS2/c1-13(17(21)19-11-14-7-3-2-4-8-14)23-18-20-16-10-6-5-9-15(16)12-22-18/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyNALOPNUQKOOCCO-CYBMUJFWSA-N
MW348.54 g/mol
LogP4.74
Rot. Bonds4

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

(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide (PubChem CID 7633885) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide
PubChem CID7633885
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC Name(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24N2OS2/c1-13(17(21)19-11-14-7-3-2-4-8-14)23-18-20-16-10-6-5-9-15(16)12-22-18/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyNALOPNUQKOOCCO-CYBMUJFWSA-N
XLogP4.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 7614087
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
CID 7633482
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 41289534
N-(cyclohexylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4783542
2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46645952
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7989752
(2R)-N-(cyclohexylmethyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7257725
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide (CID 7633885) is (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide is C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide?
The InChIKey is NALOPNUQKOOCCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-13(17(21)19-11-14-7-3-2-4-8-14)23-18-20-16-10-6-5-9-15(16)12-22-18/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide?
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide has a molecular weight of 348.54 g/mol, XLogP of 4.74, 4 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-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7633885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).