3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine

C6H13NS — CID 59079463

IUPAC3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine
SMILES[2H]C1CN(C[3H])CC1([2H])SC
InChIInChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3/i1T,3D,6D
InChIKeyKGIUXXPEKNKXNR-CHKHEWOZSA-N
MW135.26 g/mol
LogP1.05
Rot. Bonds2

About 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine

3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine (PubChem CID 59079463) has the molecular formula C6H13NS and a molecular weight of 135.26 g/mol. Its IUPAC name is 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine.

Molecular Properties

Compound Name3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine
PubChem CID59079463
Molecular FormulaC6H13NS
Molecular Weight135.26 g/mol
Exact Mass135.10
IUPAC Name3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine
SMILES[2H]C1CN(C[3H])CC1([2H])SC
InChIInChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3/i1T,3D,6D
InChIKeyKGIUXXPEKNKXNR-CHKHEWOZSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine?
The IUPAC name of 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine (CID 59079463) is 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine.
What is the SMILES notation for 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine?
The canonical SMILES for 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine is [2H]C1CN(C[3H])CC1([2H])SC.
What is the InChIKey of 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine?
The InChIKey is KGIUXXPEKNKXNR-CHKHEWOZSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3/i1T,3D,6D.
What are the key properties of 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine?
3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine has a molecular weight of 135.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-3-methylsulfanyl-1-(tritiomethyl)pyrrolidine is sourced from PubChem (CID 59079463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).