N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C19H26N2O2S — CID 27667405

IUPACN-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)NC1CCCCCCC1
InChIInChI=1S/C19H26N2O2S/c22-18(20-15-8-4-2-1-3-5-9-15)12-13-21-16-10-6-7-11-17(16)24-14-19(21)23/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,20,22)
InChIKeyUOUYVVAPIUGODQ-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.74
Rot. Bonds4

About N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 27667405) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID27667405
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)NC1CCCCCCC1
InChIInChI=1S/C19H26N2O2S/c22-18(20-15-8-4-2-1-3-5-9-15)12-13-21-16-10-6-7-11-17(16)24-14-19(21)23/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,20,22)
InChIKeyUOUYVVAPIUGODQ-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 42786222
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 9293082
N-[(1S,2S)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9273025
N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 7268644
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922309
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922394
4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one;hydrochloride
CID 119489469
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35236252
N-cyclohexyl-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 4013346
3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide
CID 9227596
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 27667405) is N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is O=C(CCN1C(=O)CSc2ccccc21)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is UOUYVVAPIUGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-18(20-15-8-4-2-1-3-5-9-15)12-13-21-16-10-6-7-11-17(16)24-14-19(21)23/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,20,22).
What are the key properties of N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 346.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 27667405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).