N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine

C8H18N2S — CID 20655873

IUPACN-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
SMILESCNCC1CC(SC)CN1C
InChIInChI=1S/C8H18N2S/c1-9-5-7-4-8(11-3)6-10(7)2/h7-9H,4-6H2,1-3H3
InChIKeyLJDRJQPDTUGEBD-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds3

About N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine

N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine (PubChem CID 20655873) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
PubChem CID20655873
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
SMILESCNCC1CC(SC)CN1C
InChIInChI=1S/C8H18N2S/c1-9-5-7-4-8(11-3)6-10(7)2/h7-9H,4-6H2,1-3H3
InChIKeyLJDRJQPDTUGEBD-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine (CID 20655873) is N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine is CNCC1CC(SC)CN1C.
What is the InChIKey of N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine?
The InChIKey is LJDRJQPDTUGEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-9-5-7-4-8(11-3)6-10(7)2/h7-9H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine?
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 20655873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).