(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane

C8H15NS — CID 126604213

IUPAC(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane
SMILESCC1C(C)[C@@]2(C)CSCN12
InChIInChI=1S/C8H15NS/c1-6-7(2)9-5-10-4-8(6,9)3/h6-7H,4-5H2,1-3H3/t6?,7?,8-/m1/s1
InChIKeyOJWKJYDKVVXZGA-KAVNDROISA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds

About (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane

(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane (PubChem CID 126604213) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane
PubChem CID126604213
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane
SMILESCC1C(C)[C@@]2(C)CSCN12
InChIInChI=1S/C8H15NS/c1-6-7(2)9-5-10-4-8(6,9)3/h6-7H,4-5H2,1-3H3/t6?,7?,8-/m1/s1
InChIKeyOJWKJYDKVVXZGA-KAVNDROISA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane (CID 126604213) is (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane is CC1C(C)[C@@]2(C)CSCN12.
What is the InChIKey of (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane?
The InChIKey is OJWKJYDKVVXZGA-KAVNDROISA-N. The full InChI is InChI=1S/C8H15NS/c1-6-7(2)9-5-10-4-8(6,9)3/h6-7H,4-5H2,1-3H3/t6?,7?,8-/m1/s1.
What are the key properties of (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane?
(5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane has a molecular weight of 157.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6,7-trimethyl-3-thia-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 126604213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).