N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H20N2S — CID 2376071

IUPACN-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC[C@H]1CCCC[C@H]1NC1=NCCCS1
InChIInChI=1S/C11H20N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyKHBQUQCRMLRFHV-VHSXEESVSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds1

About N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2376071) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2376071
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC[C@H]1CCCC[C@H]1NC1=NCCCS1
InChIInChI=1S/C11H20N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyKHBQUQCRMLRFHV-VHSXEESVSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2376071) is N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is C[C@H]1CCCC[C@H]1NC1=NCCCS1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KHBQUQCRMLRFHV-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2376071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).