(8S)-5,5,7,8-tetramethyl-1,4-thiazocane

C10H21NS — CID 142372486

IUPAC(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
SMILESCC1CC(C)(C)NCCS[C@H]1C
InChIInChI=1S/C10H21NS/c1-8-7-10(3,4)11-5-6-12-9(8)2/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1
InChIKeyWSDCZADIZYYIES-GKAPJAKFSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds

About (8S)-5,5,7,8-tetramethyl-1,4-thiazocane

(8S)-5,5,7,8-tetramethyl-1,4-thiazocane (PubChem CID 142372486) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (8S)-5,5,7,8-tetramethyl-1,4-thiazocane.

Molecular Properties

Compound Name(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
PubChem CID142372486
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
SMILESCC1CC(C)(C)NCCS[C@H]1C
InChIInChI=1S/C10H21NS/c1-8-7-10(3,4)11-5-6-12-9(8)2/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1
InChIKeyWSDCZADIZYYIES-GKAPJAKFSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-5,5,7,8-tetramethyl-1,4-thiazocane?
The IUPAC name of (8S)-5,5,7,8-tetramethyl-1,4-thiazocane (CID 142372486) is (8S)-5,5,7,8-tetramethyl-1,4-thiazocane.
What is the SMILES notation for (8S)-5,5,7,8-tetramethyl-1,4-thiazocane?
The canonical SMILES for (8S)-5,5,7,8-tetramethyl-1,4-thiazocane is CC1CC(C)(C)NCCS[C@H]1C.
What is the InChIKey of (8S)-5,5,7,8-tetramethyl-1,4-thiazocane?
The InChIKey is WSDCZADIZYYIES-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NS/c1-8-7-10(3,4)11-5-6-12-9(8)2/h8-9,11H,5-7H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (8S)-5,5,7,8-tetramethyl-1,4-thiazocane?
(8S)-5,5,7,8-tetramethyl-1,4-thiazocane has a molecular weight of 187.35 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5,5,7,8-tetramethyl-1,4-thiazocane is sourced from PubChem (CID 142372486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).