(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane

C11H21NS — CID 167157574

IUPAC(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CC[C@]2(CCSC2)C1
InChIInChI=1S/C11H21NS/c1-10(2,3)12-6-4-11(8-12)5-7-13-9-11/h4-9H2,1-3H3/t11-/m0/s1
InChIKeyVYILZGSMHIRJRY-NSHDSACASA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds

About (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane

(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane (PubChem CID 167157574) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane
PubChem CID167157574
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CC[C@]2(CCSC2)C1
InChIInChI=1S/C11H21NS/c1-10(2,3)12-6-4-11(8-12)5-7-13-9-11/h4-9H2,1-3H3/t11-/m0/s1
InChIKeyVYILZGSMHIRJRY-NSHDSACASA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane (CID 167157574) is (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane is CC(C)(C)N1CC[C@]2(CCSC2)C1.
What is the InChIKey of (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The InChIKey is VYILZGSMHIRJRY-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2,3)12-6-4-11(8-12)5-7-13-9-11/h4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane has a molecular weight of 199.36 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 167157574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).