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

C19H27N3O2S — CID 4148216

IUPACN-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C19H27N3O2S/c1-13(2)8-9-20-17(23)14-6-7-16-15(12-14)21-18(24)19(25-16)22-10-4-3-5-11-22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDLKJQYDLYJSKNL-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.32
Rot. Bonds5

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

N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4148216) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4148216
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C19H27N3O2S/c1-13(2)8-9-20-17(23)14-6-7-16-15(12-14)21-18(24)19(25-16)22-10-4-3-5-11-22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDLKJQYDLYJSKNL-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
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-butan-2-yl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 5072193
N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148214
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
N-(3-methylbutyl)-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615174
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (CID 4148216) is N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2.
What is the InChIKey of N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is DLKJQYDLYJSKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-13(2)8-9-20-17(23)14-6-7-16-15(12-14)21-18(24)19(25-16)22-10-4-3-5-11-22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4148216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).