N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C19H27N3O2S — CID 9472923

IUPACN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H27N3O2S/c1-14-7-4-5-11-22(14)12-6-10-20-18(23)13-17-19(24)21-15-8-2-3-9-16(15)25-17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,20,23)(H,21,24)/t14-,17+/m0/s1
InChIKeyNCNHTNZYMSYGRU-WMLDXEAASA-N
MW361.51 g/mol
LogP2.87
Rot. Bonds6

About N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 9472923) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID9472923
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H27N3O2S/c1-14-7-4-5-11-22(14)12-6-10-20-18(23)13-17-19(24)21-15-8-2-3-9-16(15)25-17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,20,23)(H,21,24)/t14-,17+/m0/s1
InChIKeyNCNHTNZYMSYGRU-WMLDXEAASA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92696595
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55723978
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9473721
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9472922
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51297091
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55948234
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 51161456

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 9472923) is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is C[C@H]1CCCCN1CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is NCNHTNZYMSYGRU-WMLDXEAASA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-7-4-5-11-22(14)12-6-10-20-18(23)13-17-19(24)21-15-8-2-3-9-16(15)25-17/h2-3,8-9,14,17H,4-7,10-13H2,1H3,(H,20,23)(H,21,24)/t14-,17+/m0/s1.
What are the key properties of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 361.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 9472923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).