2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine

C8H18N2S — CID 131206914

IUPAC2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
SMILESCSCC1CCN(CCN)C1
InChIInChI=1S/C8H18N2S/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7,9H2,1H3
InChIKeyXWFJDXMMRPJKBM-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.63
Rot. Bonds4

About 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine

2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 131206914) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
PubChem CID131206914
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
SMILESCSCC1CCN(CCN)C1
InChIInChI=1S/C8H18N2S/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7,9H2,1H3
InChIKeyXWFJDXMMRPJKBM-UHFFFAOYSA-N
XLogP0.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(methylsulfanylmethyl)pyrrolidine
CID 169242079
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
CID 130757506
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine (CID 131206914) is 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine is CSCC1CCN(CCN)C1.
What is the InChIKey of 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is XWFJDXMMRPJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7,9H2,1H3.
What are the key properties of 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine?
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 131206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).