(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C14H18N2OS — CID 64823254

IUPAC(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNC1CCCC1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c15-11-5-3-4-10(11)14(17)16-8-9-18-13-7-2-1-6-12(13)16/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyQHPIGMUHAXHXAW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.25
Rot. Bonds1

About (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 64823254) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID64823254
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNC1CCCC1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c15-11-5-3-4-10(11)14(17)16-8-9-18-13-7-2-1-6-12(13)16/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyQHPIGMUHAXHXAW-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone
CID 55229013
1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone
CID 110742076
cis-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] (1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 29434531
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 51272537
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 109398068
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 113311670
(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 64553388
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 95235125

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 64823254) is (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is NC1CCCC1C(=O)N1CCSc2ccccc21.
What is the InChIKey of (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is QHPIGMUHAXHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-11-5-3-4-10(11)14(17)16-8-9-18-13-7-2-1-6-12(13)16/h1-2,6-7,10-11H,3-5,8-9,15H2.
What are the key properties of (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 262.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 64823254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).