N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

C7H16N2S — CID 54463614

IUPACN-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCNC1CNCC1CSC
InChIInChI=1S/C7H16N2S/c1-8-7-4-9-3-6(7)5-10-2/h6-9H,3-5H2,1-2H3
InChIKeySJGRCRHOPRILDF-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.16
Rot. Bonds3

About N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 54463614) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID54463614
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCNC1CNCC1CSC
InChIInChI=1S/C7H16N2S/c1-8-7-4-9-3-6(7)5-10-2/h6-9H,3-5H2,1-2H3
InChIKeySJGRCRHOPRILDF-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (CID 54463614) is N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is CNC1CNCC1CSC.
What is the InChIKey of N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is SJGRCRHOPRILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8-7-4-9-3-6(7)5-10-2/h6-9H,3-5H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 54463614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).