4-(methylsulfanylmethyl)pyrrolidin-3-amine

C6H14N2S — CID 45078941

IUPAC4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1CNCC1N
InChIInChI=1S/C6H14N2S/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3
InChIKeyJEDKUWJZTKCHFR-UHFFFAOYSA-N
MW146.26 g/mol
LogP-0.10
Rot. Bonds2

About 4-(methylsulfanylmethyl)pyrrolidin-3-amine

4-(methylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 45078941) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID45078941
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1CNCC1N
InChIInChI=1S/C6H14N2S/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3
InChIKeyJEDKUWJZTKCHFR-UHFFFAOYSA-N
XLogP-0.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(methylsulfanylmethyl)pyrrolidin-3-amine (CID 45078941) is 4-(methylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(methylsulfanylmethyl)pyrrolidin-3-amine is CSCC1CNCC1N.
What is the InChIKey of 4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is JEDKUWJZTKCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-9-4-5-2-8-3-6(5)7/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)pyrrolidin-3-amine?
4-(methylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 146.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 45078941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).