N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide

C15H18N2O2S — CID 42786222

IUPACN-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ccccc21)NC1CC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-11-7-8-11)6-3-9-17-12-4-1-2-5-13(12)20-10-15(17)19/h1-2,4-5,11H,3,6-10H2,(H,16,18)
InChIKeyINLWZRRIXUYSEX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds5

About N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide

N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide (PubChem CID 42786222) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
PubChem CID42786222
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ccccc21)NC1CC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-11-7-8-11)6-3-9-17-12-4-1-2-5-13(12)20-10-15(17)19/h1-2,4-5,11H,3,6-10H2,(H,16,18)
InChIKeyINLWZRRIXUYSEX-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 9293082
N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 7268644
4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 7416279
N-[(1S,2S)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9273025
2-cyano-N-cyclopropyl-3-oxo-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 71940186
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922394
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922309
4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one;hydrochloride
CID 119489469
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
CID 3245176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide?
The IUPAC name of N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide (CID 42786222) is N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide is O=C(CCCN1C(=O)CSc2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide?
The InChIKey is INLWZRRIXUYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(16-11-7-8-11)6-3-9-17-12-4-1-2-5-13(12)20-10-15(17)19/h1-2,4-5,11H,3,6-10H2,(H,16,18).
What are the key properties of N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide?
N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide has a molecular weight of 290.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide is sourced from PubChem (CID 42786222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).