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

C12H20N2OS — CID 106363504

IUPACN-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESC1CCC2N=C(NC3CCOC3)SCC2C1
InChIInChI=1S/C12H20N2OS/c1-2-4-11-9(3-1)8-16-12(14-11)13-10-5-6-15-7-10/h9-11H,1-8H2,(H,13,14)
InChIKeyRPOZCKMPOWPIOK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.03
Rot. Bonds1

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

N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363504) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363504
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESC1CCC2N=C(NC3CCOC3)SCC2C1
InChIInChI=1S/C12H20N2OS/c1-2-4-11-9(3-1)8-16-12(14-11)13-10-5-6-15-7-10/h9-11H,1-8H2,(H,13,14)
InChIKeyRPOZCKMPOWPIOK-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363504) is N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is C1CCC2N=C(NC3CCOC3)SCC2C1.
What is the InChIKey of N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is RPOZCKMPOWPIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-4-11-9(3-1)8-16-12(14-11)13-10-5-6-15-7-10/h9-11H,1-8H2,(H,13,14).
What are the key properties of N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).