2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine

C8H18N2S — CID 66229673

IUPAC2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
SMILESCC(C)(N)CSC1CCNC1
InChIInChI=1S/C8H18N2S/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6,9H2,1-2H3
InChIKeyAHOYAQUIFIXOBW-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.82
Rot. Bonds3

About 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine

2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine (PubChem CID 66229673) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
PubChem CID66229673
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
SMILESCC(C)(N)CSC1CCNC1
InChIInChI=1S/C8H18N2S/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6,9H2,1-2H3
InChIKeyAHOYAQUIFIXOBW-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine?
The IUPAC name of 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine (CID 66229673) is 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine.
What is the SMILES notation for 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine?
The canonical SMILES for 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine is CC(C)(N)CSC1CCNC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine?
The InChIKey is AHOYAQUIFIXOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine?
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine has a molecular weight of 174.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine is sourced from PubChem (CID 66229673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).