5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane

C10H19NS — CID 174244317

IUPAC5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane
SMILESCSC[C@H](C)C1CC12CN(C)C2
InChIInChI=1S/C10H19NS/c1-8(5-12-3)9-4-10(9)6-11(2)7-10/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyGSBOTTZWULOAJV-IENPIDJESA-N
MW185.34 g/mol
LogP1.94
Rot. Bonds3

About 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane

5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane (PubChem CID 174244317) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane
PubChem CID174244317
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane
SMILESCSC[C@H](C)C1CC12CN(C)C2
InChIInChI=1S/C10H19NS/c1-8(5-12-3)9-4-10(9)6-11(2)7-10/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyGSBOTTZWULOAJV-IENPIDJESA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane?
The IUPAC name of 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane (CID 174244317) is 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane is CSC[C@H](C)C1CC12CN(C)C2.
What is the InChIKey of 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane?
The InChIKey is GSBOTTZWULOAJV-IENPIDJESA-N. The full InChI is InChI=1S/C10H19NS/c1-8(5-12-3)9-4-10(9)6-11(2)7-10/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane?
5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane has a molecular weight of 185.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane is sourced from PubChem (CID 174244317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).