(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine

C7H16N2S — CID 15069979

IUPAC(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCN[C@@H]1CNC[C@H]1SC
InChIInChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYYKNVQTUDLJKGI-RNFRBKRXSA-N
MW160.29 g/mol
LogP0.30
Rot. Bonds3

About (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine

(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine (PubChem CID 15069979) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
PubChem CID15069979
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCN[C@@H]1CNC[C@H]1SC
InChIInChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYYKNVQTUDLJKGI-RNFRBKRXSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine (CID 15069979) is (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine is CCN[C@@H]1CNC[C@H]1SC.
What is the InChIKey of (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The InChIKey is YYKNVQTUDLJKGI-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-9-6-4-8-5-7(6)10-2/h6-9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
(3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-ethyl-4-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 15069979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).