N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C14H24N2OS — CID 106363714

IUPACN-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC1(NC2=NC3CCCCC3CS2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-14(6-8-17-9-7-14)16-13-15-12-5-3-2-4-11(12)10-18-13/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyHEWFFYVMAFPDRT-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.81
Rot. Bonds1

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

N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363714) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363714
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC1(NC2=NC3CCCCC3CS2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-14(6-8-17-9-7-14)16-13-15-12-5-3-2-4-11(12)10-18-13/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyHEWFFYVMAFPDRT-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363714) is N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC1(NC2=NC3CCCCC3CS2)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is HEWFFYVMAFPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(6-8-17-9-7-14)16-13-15-12-5-3-2-4-11(12)10-18-13/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).