(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine

C8H16N2S — CID 54392418

IUPAC(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC(C)C[C@@H]1CSCC(N)=N1
InChIInChI=1S/C8H16N2S/c1-6(2)3-7-4-11-5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t7-/m1/s1
InChIKeyVHPCHWODGWYKAH-SSDOTTSWSA-N
MW172.30 g/mol
LogP1.51
Rot. Bonds2

About (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine

(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 54392418) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID54392418
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC(C)C[C@@H]1CSCC(N)=N1
InChIInChI=1S/C8H16N2S/c1-6(2)3-7-4-11-5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t7-/m1/s1
InChIKeyVHPCHWODGWYKAH-SSDOTTSWSA-N
XLogP1.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 54392418) is (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine is CC(C)C[C@@H]1CSCC(N)=N1.
What is the InChIKey of (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is VHPCHWODGWYKAH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6(2)3-7-4-11-5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t7-/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
(3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 172.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 54392418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).