4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine

C15H22N2OS — CID 65162674

IUPAC4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(CCCC1CCCO1)CCS2
InChIInChI=1S/C15H22N2OS/c16-12-5-6-15-14(11-12)17(8-10-19-15)7-1-3-13-4-2-9-18-13/h5-6,11,13H,1-4,7-10,16H2
InChIKeyDXHKSVNLPIDLAE-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.14
Rot. Bonds4

About 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine

4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 65162674) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID65162674
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(CCCC1CCCO1)CCS2
InChIInChI=1S/C15H22N2OS/c16-12-5-6-15-14(11-12)17(8-10-19-15)7-1-3-13-4-2-9-18-13/h5-6,11,13H,1-4,7-10,16H2
InChIKeyDXHKSVNLPIDLAE-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine
CID 83212541
2-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl-ethylcarbamic acid
CID 66704577
5-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 65170568
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61481917
7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 65161418
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
4-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 103038305
3-methyl-4-[3-(oxolan-2-yl)propylsulfonyl]aniline
CID 81192653
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
CID 104601266
3-methyl-4-[3-(oxolan-2-yl)propylsulfinyl]aniline
CID 81191890

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine (CID 65162674) is 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(CCCC1CCCO1)CCS2.
What is the InChIKey of 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is DXHKSVNLPIDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-12-5-6-15-14(11-12)17(8-10-19-15)7-1-3-13-4-2-9-18-13/h5-6,11,13H,1-4,7-10,16H2.
What are the key properties of 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 278.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 65162674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).