(6S)-7-oxa-1-thiaspiro[5.5]undecane

C9H16OS — CID 637994

IUPAC(6S)-7-oxa-1-thiaspiro[5.5]undecane
SMILESC1CC[C@]2(CCCCS2)OC1
InChIInChI=1S/C9H16OS/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2/t9-/m0/s1
InChIKeyKDLDBXLHJKFTMC-VIFPVBQESA-N
MW172.29 g/mol
LogP2.80
Rot. Bonds

About (6S)-7-oxa-1-thiaspiro[5.5]undecane

(6S)-7-oxa-1-thiaspiro[5.5]undecane (PubChem CID 637994) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (6S)-7-oxa-1-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-7-oxa-1-thiaspiro[5.5]undecane
PubChem CID637994
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(6S)-7-oxa-1-thiaspiro[5.5]undecane
SMILESC1CC[C@]2(CCCCS2)OC1
InChIInChI=1S/C9H16OS/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2/t9-/m0/s1
InChIKeyKDLDBXLHJKFTMC-VIFPVBQESA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-oxa-1-thiaspiro[5.5]undecane?
The IUPAC name of (6S)-7-oxa-1-thiaspiro[5.5]undecane (CID 637994) is (6S)-7-oxa-1-thiaspiro[5.5]undecane.
What is the SMILES notation for (6S)-7-oxa-1-thiaspiro[5.5]undecane?
The canonical SMILES for (6S)-7-oxa-1-thiaspiro[5.5]undecane is C1CC[C@]2(CCCCS2)OC1.
What is the InChIKey of (6S)-7-oxa-1-thiaspiro[5.5]undecane?
The InChIKey is KDLDBXLHJKFTMC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16OS/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2/t9-/m0/s1.
What are the key properties of (6S)-7-oxa-1-thiaspiro[5.5]undecane?
(6S)-7-oxa-1-thiaspiro[5.5]undecane has a molecular weight of 172.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-oxa-1-thiaspiro[5.5]undecane is sourced from PubChem (CID 637994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).