N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C15H18N2O3S — CID 103751180

IUPACN-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC3CCCC3CO)cc2N1
InChIInChI=1S/C15H18N2O3S/c18-7-10-2-1-3-11(10)17-15(20)9-4-5-13-12(6-9)16-14(19)8-21-13/h4-6,10-11,18H,1-3,7-8H2,(H,16,19)(H,17,20)
InChIKeyWVGCXNJGYSRUAV-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.62
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 103751180) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID103751180
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC3CCCC3CO)cc2N1
InChIInChI=1S/C15H18N2O3S/c18-7-10-2-1-3-11(10)17-15(20)9-4-5-13-12(6-9)16-14(19)8-21-13/h4-6,10-11,18H,1-3,7-8H2,(H,16,19)(H,17,20)
InChIKeyWVGCXNJGYSRUAV-UHFFFAOYSA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677689
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24674034
N-(3-amino-2-hydroxy-3-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 107260991
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 61411079
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119568654

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 103751180) is N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NC3CCCC3CO)cc2N1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is WVGCXNJGYSRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-7-10-2-1-3-11(10)17-15(20)9-4-5-13-12(6-9)16-14(19)8-21-13/h4-6,10-11,18H,1-3,7-8H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 103751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).