N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine

C11H24N2S — CID 82759839

IUPACN-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCC(C)N(CC)C1CNCC1SC
InChIInChI=1S/C11H24N2S/c1-5-9(3)13(6-2)10-7-12-8-11(10)14-4/h9-12H,5-8H2,1-4H3
InChIKeyMETUZAFDJXNVQU-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds5

About N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine

N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine (PubChem CID 82759839) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
PubChem CID82759839
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine
SMILESCCC(C)N(CC)C1CNCC1SC
InChIInChI=1S/C11H24N2S/c1-5-9(3)13(6-2)10-7-12-8-11(10)14-4/h9-12H,5-8H2,1-4H3
InChIKeyMETUZAFDJXNVQU-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine (CID 82759839) is N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine is CCC(C)N(CC)C1CNCC1SC.
What is the InChIKey of N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
The InChIKey is METUZAFDJXNVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-5-9(3)13(6-2)10-7-12-8-11(10)14-4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine?
N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-4-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 82759839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).