N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H25N3O3S — CID 4615175

IUPACN-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
InChIInChI=1S/C18H25N3O3S/c1-12(2)5-6-19-16(22)13-3-4-15-14(11-13)20-17(23)18(25-15)21-7-9-24-10-8-21/h3-4,11-12,18H,5-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFSQBJVFBIZRQJE-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.16
Rot. Bonds5

About N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4615175) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4615175
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
InChIInChI=1S/C18H25N3O3S/c1-12(2)5-6-19-16(22)13-3-4-15-14(11-13)20-17(23)18(25-15)21-7-9-24-10-8-21/h3-4,11-12,18H,5-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFSQBJVFBIZRQJE-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5054274
N-(3-methylbutyl)-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615174
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 92696425
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3239345
N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 4615175) is N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2.
What is the InChIKey of N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is FSQBJVFBIZRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)5-6-19-16(22)13-3-4-15-14(11-13)20-17(23)18(25-15)21-7-9-24-10-8-21/h3-4,11-12,18H,5-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4615175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).