[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine

C11H22FNS — CID 163840672

IUPAC[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine
SMILESCSC1C[C@@H](C(C)C)C(CN)[C@H](F)C1
InChIInChI=1S/C11H22FNS/c1-7(2)9-4-8(14-3)5-11(12)10(9)6-13/h7-11H,4-6,13H2,1-3H3/t8?,9-,10?,11+/m0/s1
InChIKeyOLRWHIUZOZLVBD-QONHTCSSSA-N
MW219.37 g/mol
LogP2.70
Rot. Bonds3

About [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine

[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine (PubChem CID 163840672) has the molecular formula C11H22FNS and a molecular weight of 219.37 g/mol. Its IUPAC name is [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine
PubChem CID163840672
Molecular FormulaC11H22FNS
Molecular Weight219.37 g/mol
Exact Mass219.15
IUPAC Name[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine
SMILESCSC1C[C@@H](C(C)C)C(CN)[C@H](F)C1
InChIInChI=1S/C11H22FNS/c1-7(2)9-4-8(14-3)5-11(12)10(9)6-13/h7-11H,4-6,13H2,1-3H3/t8?,9-,10?,11+/m0/s1
InChIKeyOLRWHIUZOZLVBD-QONHTCSSSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine (CID 163840672) is [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine is CSC1C[C@@H](C(C)C)C(CN)[C@H](F)C1.
What is the InChIKey of [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine?
The InChIKey is OLRWHIUZOZLVBD-QONHTCSSSA-N. The full InChI is InChI=1S/C11H22FNS/c1-7(2)9-4-8(14-3)5-11(12)10(9)6-13/h7-11H,4-6,13H2,1-3H3/t8?,9-,10?,11+/m0/s1.
What are the key properties of [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine?
[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine has a molecular weight of 219.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 163840672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).