2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine

C11H24N2OS — CID 64568112

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
SMILESCOCC1CCN(C(CN)CCSC)C1
InChIInChI=1S/C11H24N2OS/c1-14-9-10-3-5-13(8-10)11(7-12)4-6-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyZHQBWWYOJACMHO-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds7

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine (PubChem CID 64568112) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
PubChem CID64568112
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
SMILESCOCC1CCN(C(CN)CCSC)C1
InChIInChI=1S/C11H24N2OS/c1-14-9-10-3-5-13(8-10)11(7-12)4-6-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyZHQBWWYOJACMHO-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine (CID 64568112) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine is COCC1CCN(C(CN)CCSC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine?
The InChIKey is ZHQBWWYOJACMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-14-9-10-3-5-13(8-10)11(7-12)4-6-15-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 64568112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).