[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C8H16N2OS — CID 126562279

IUPAC[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCSCN1C[C@@H]2[C@H](C1)C2(N)CO
InChIInChI=1S/C8H16N2OS/c1-12-5-10-2-6-7(3-10)8(6,9)4-11/h6-7,11H,2-5,9H2,1H3/t6-,7+,8?
InChIKeyFFMLAIPJAZEUCZ-DHBOJHSNSA-N
MW188.30 g/mol
LogP-0.44
Rot. Bonds3

About [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 126562279) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID126562279
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCSCN1C[C@@H]2[C@H](C1)C2(N)CO
InChIInChI=1S/C8H16N2OS/c1-12-5-10-2-6-7(3-10)8(6,9)4-11/h6-7,11H,2-5,9H2,1H3/t6-,7+,8?
InChIKeyFFMLAIPJAZEUCZ-DHBOJHSNSA-N
XLogP-0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 126562279) is [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CSCN1C[C@@H]2[C@H](C1)C2(N)CO.
What is the InChIKey of [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is FFMLAIPJAZEUCZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-12-5-10-2-6-7(3-10)8(6,9)4-11/h6-7,11H,2-5,9H2,1H3/t6-,7+,8?.
What are the key properties of [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 188.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-amino-3-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 126562279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).