N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide

C16H20N2O2S — CID 110790797

IUPACN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide
SMILESO=C1CSc2ccc(CCNC(=O)C3CCCC3)cc2N1
InChIInChI=1S/C16H20N2O2S/c19-15-10-21-14-6-5-11(9-13(14)18-15)7-8-17-16(20)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyCDRFFQWAVGZFGW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide

N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide (PubChem CID 110790797) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide
PubChem CID110790797
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide
SMILESO=C1CSc2ccc(CCNC(=O)C3CCCC3)cc2N1
InChIInChI=1S/C16H20N2O2S/c19-15-10-21-14-6-5-11(9-13(14)18-15)7-8-17-16(20)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyCDRFFQWAVGZFGW-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]propanamide
CID 110790796
6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 82480367
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20926958
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
6-[2-(sulfanylmethylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 115228287
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
3-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethylamino]propanenitrile
CID 115231132
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
(E)-5-(3-oxo-4H-1,4-benzothiazin-6-yl)pent-2-enoic acid
CID 116865955
N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 115191337

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide (CID 110790797) is N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide is O=C1CSc2ccc(CCNC(=O)C3CCCC3)cc2N1.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is CDRFFQWAVGZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15-10-21-14-6-5-11(9-13(14)18-15)7-8-17-16(20)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide?
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 110790797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).