1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine

C7H13NS — CID 84648908

IUPAC1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine
SMILESCC(N)C1[C@H]2CCS[C@@H]12
InChIInChI=1S/C7H13NS/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3/t4?,5-,6?,7-/m1/s1
InChIKeyRCUWFQNBNZPUSY-DHJFATIGSA-N
MW143.25 g/mol
LogP1.09
Rot. Bonds1

About 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine

1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine (PubChem CID 84648908) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine.

Molecular Properties

Compound Name1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine
PubChem CID84648908
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine
SMILESCC(N)C1[C@H]2CCS[C@@H]12
InChIInChI=1S/C7H13NS/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3/t4?,5-,6?,7-/m1/s1
InChIKeyRCUWFQNBNZPUSY-DHJFATIGSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine?
The IUPAC name of 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine (CID 84648908) is 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine.
What is the SMILES notation for 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine?
The canonical SMILES for 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine is CC(N)C1[C@H]2CCS[C@@H]12.
What is the InChIKey of 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine?
The InChIKey is RCUWFQNBNZPUSY-DHJFATIGSA-N. The full InChI is InChI=1S/C7H13NS/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3/t4?,5-,6?,7-/m1/s1.
What are the key properties of 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine?
1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine is sourced from PubChem (CID 84648908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).