N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine

C12H24N2S — CID 83073463

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine
SMILESCCC1(CN(C)C2CCSC2)CCCN1
InChIInChI=1S/C12H24N2S/c1-3-12(6-4-7-13-12)10-14(2)11-5-8-15-9-11/h11,13H,3-10H2,1-2H3
InChIKeyNGGWLENMPIYEDI-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds4

About N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine (PubChem CID 83073463) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine
PubChem CID83073463
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine
SMILESCCC1(CN(C)C2CCSC2)CCCN1
InChIInChI=1S/C12H24N2S/c1-3-12(6-4-7-13-12)10-14(2)11-5-8-15-9-11/h11,13H,3-10H2,1-2H3
InChIKeyNGGWLENMPIYEDI-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine (CID 83073463) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine is CCC1(CN(C)C2CCSC2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine?
The InChIKey is NGGWLENMPIYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-12(6-4-7-13-12)10-14(2)11-5-8-15-9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83073463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).