(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide

C23H34N4O2S — CID 99736744

IUPAC(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2
InChIInChI=1S/C23H34N4O2S/c1-17-8-3-6-12-26(17)15-7-11-24-21(28)18-9-10-20-19(16-18)25-22(29)23(30-20)27-13-4-2-5-14-27/h9-10,16-17,23H,2-8,11-15H2,1H3,(H,24,28)(H,25,29)/t17-,23+/m1/s1
InChIKeyFDHSAMVGGYCYTJ-HXOBKFHXSA-N
MW430.62 g/mol
LogP3.54
Rot. Bonds6

About (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide

(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 99736744) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
PubChem CID99736744
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2
InChIInChI=1S/C23H34N4O2S/c1-17-8-3-6-12-26(17)15-7-11-24-21(28)18-9-10-20-19(16-18)25-22(29)23(30-20)27-13-4-2-5-14-27/h9-10,16-17,23H,2-8,11-15H2,1H3,(H,24,28)(H,25,29)/t17-,23+/m1/s1
InChIKeyFDHSAMVGGYCYTJ-HXOBKFHXSA-N
XLogP3.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3239345
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3504234
N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 20968106
(2R)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 52518039
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
N-butan-2-yl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 5072193
(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 (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (CID 99736744) is (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2.
What is the InChIKey of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is FDHSAMVGGYCYTJ-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-17-8-3-6-12-26(17)15-7-11-24-21(28)18-9-10-20-19(16-18)25-22(29)23(30-20)27-13-4-2-5-14-27/h9-10,16-17,23H,2-8,11-15H2,1H3,(H,24,28)(H,25,29)/t17-,23+/m1/s1.
What are the key properties of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 99736744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).