[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C14H18N2OS — CID 113311670

IUPAC[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNCC1(C(=O)N2CCSc3ccccc32)CCC1
InChIInChI=1S/C14H18N2OS/c15-10-14(6-3-7-14)13(17)16-8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,15H2
InChIKeyMBTKFEMHMOPFEQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.25
Rot. Bonds2

About [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 113311670) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID113311670
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNCC1(C(=O)N2CCSc3ccccc32)CCC1
InChIInChI=1S/C14H18N2OS/c15-10-14(6-3-7-14)13(17)16-8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,15H2
InChIKeyMBTKFEMHMOPFEQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 113311670) is [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is NCC1(C(=O)N2CCSc3ccccc32)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is MBTKFEMHMOPFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-10-14(6-3-7-14)13(17)16-8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 262.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 113311670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).