N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine

C12H19N3S — CID 10220343

IUPACN-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine
SMILESCN(CCSc1ccncc1)C1CCCN1
InChIInChI=1S/C12H19N3S/c1-15(12-3-2-6-14-12)9-10-16-11-4-7-13-8-5-11/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3
InChIKeyQAXUNWBBXABFLI-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine

N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine (PubChem CID 10220343) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine
PubChem CID10220343
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine
SMILESCN(CCSc1ccncc1)C1CCCN1
InChIInChI=1S/C12H19N3S/c1-15(12-3-2-6-14-12)9-10-16-11-4-7-13-8-5-11/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3
InChIKeyQAXUNWBBXABFLI-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine (CID 10220343) is N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine is CN(CCSc1ccncc1)C1CCCN1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine?
The InChIKey is QAXUNWBBXABFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(12-3-2-6-14-12)9-10-16-11-4-7-13-8-5-11/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine?
N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylsulfanylethyl)pyrrolidin-2-amine is sourced from PubChem (CID 10220343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).