7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one

C14H18N2OS — CID 84615562

IUPAC7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2cc(N)ccc2N(C2CCCC2)C1=O
InChIInChI=1S/C14H18N2OS/c1-9-14(17)16(11-4-2-3-5-11)12-7-6-10(15)8-13(12)18-9/h6-9,11H,2-5,15H2,1H3
InChIKeyRMXJRSATEICORH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.04
Rot. Bonds1

About 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one

7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one (PubChem CID 84615562) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
PubChem CID84615562
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2cc(N)ccc2N(C2CCCC2)C1=O
InChIInChI=1S/C14H18N2OS/c1-9-14(17)16(11-4-2-3-5-11)12-7-6-10(15)8-13(12)18-9/h6-9,11H,2-5,15H2,1H3
InChIKeyRMXJRSATEICORH-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
CID 84615633
7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
CID 84615614
2-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615525
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543
3-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615540
6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115260501
6-amino-4-(3-aminopropyl)-2-methyl-1,4-benzothiazin-3-one
CID 115197127
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143
3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 84615627
5-amino-1-cyclopropyl-3H-indol-2-one;iron
CID 159753401

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one (CID 84615562) is 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one is CC1Sc2cc(N)ccc2N(C2CCCC2)C1=O.
What is the InChIKey of 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is RMXJRSATEICORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-14(17)16(11-4-2-3-5-11)12-7-6-10(15)8-13(12)18-9/h6-9,11H,2-5,15H2,1H3.
What are the key properties of 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one?
7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 262.38 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).