2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine

C7H16N2S — CID 130757506

IUPAC2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
SMILESCSC1CCN(CCN)C1
InChIInChI=1S/C7H16N2S/c1-10-7-2-4-9(6-7)5-3-8/h7H,2-6,8H2,1H3
InChIKeyDGCXYBKRYPMLRA-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.38
Rot. Bonds3

About 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine

2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine (PubChem CID 130757506) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
PubChem CID130757506
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
SMILESCSC1CCN(CCN)C1
InChIInChI=1S/C7H16N2S/c1-10-7-2-4-9(6-7)5-3-8/h7H,2-6,8H2,1H3
InChIKeyDGCXYBKRYPMLRA-UHFFFAOYSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
2-(3-methylsulfanylpyrrolidin-1-yl)ethanol
CID 131031599
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
1-(2-bromoethyl)-4-methylsulfanylpiperidine
CID 126974921
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide
CID 84591017
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine (CID 130757506) is 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine is CSC1CCN(CCN)C1.
What is the InChIKey of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine?
The InChIKey is DGCXYBKRYPMLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-10-7-2-4-9(6-7)5-3-8/h7H,2-6,8H2,1H3.
What are the key properties of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine?
2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine has a molecular weight of 160.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 130757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).