N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H18N2OS — CID 63711064

IUPACN-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCC2CCOCC2)SC1
InChIInChI=1S/C10H18N2OS/c1-4-11-10(14-7-1)12-8-9-2-5-13-6-3-9/h9H,1-8H2,(H,11,12)
InChIKeySEFPTTGVLOPATM-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.50
Rot. Bonds2

About N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 63711064) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID63711064
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCC2CCOCC2)SC1
InChIInChI=1S/C10H18N2OS/c1-4-11-10(14-7-1)12-8-9-2-5-13-6-3-9/h9H,1-8H2,(H,11,12)
InChIKeySEFPTTGVLOPATM-UHFFFAOYSA-N
XLogP1.50
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 63711064) is N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is C1CN=C(NCC2CCOCC2)SC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SEFPTTGVLOPATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-11-10(14-7-1)12-8-9-2-5-13-6-3-9/h9H,1-8H2,(H,11,12).
What are the key properties of N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 63711064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).