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

C14H18N2OS — CID 55229013

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-10-8-15-9-11(10)14(17)16-6-7-18-13-5-3-2-4-12(13)16/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGJIIKDWIKAYDTM-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.98
Rot. Bonds1

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

2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 55229013) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone
PubChem CID55229013
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-10-8-15-9-11(10)14(17)16-6-7-18-13-5-3-2-4-12(13)16/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGJIIKDWIKAYDTM-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone (CID 55229013) is 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is GJIIKDWIKAYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-8-15-9-11(10)14(17)16-6-7-18-13-5-3-2-4-12(13)16/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 262.38 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 55229013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).