N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C14H24N2OS — CID 106363740

IUPACN-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCOC1
InChIInChI=1S/C14H24N2OS/c1-10(11-6-7-17-8-11)15-14-16-13-5-3-2-4-12(13)9-18-14/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyLTQNSLMGEVUJNH-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.66
Rot. Bonds2

About N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363740) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363740
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCOC1
InChIInChI=1S/C14H24N2OS/c1-10(11-6-7-17-8-11)15-14-16-13-5-3-2-4-12(13)9-18-14/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyLTQNSLMGEVUJNH-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363740) is N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC(NC1=NC2CCCCC2CS1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is LTQNSLMGEVUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(11-6-7-17-8-11)15-14-16-13-5-3-2-4-12(13)9-18-14/h10-13H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).