6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

C12H19N3S — CID 119036518

IUPAC6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESCSCC1CCCN1Cc1cccc(N)n1
InChIInChI=1S/C12H19N3S/c1-16-9-11-5-3-7-15(11)8-10-4-2-6-12(13)14-10/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14)
InChIKeyRXRNPNMMLSLVNI-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.99
Rot. Bonds4

About 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 119036518) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID119036518
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESCSCC1CCCN1Cc1cccc(N)n1
InChIInChI=1S/C12H19N3S/c1-16-9-11-5-3-7-15(11)8-10-4-2-6-12(13)14-10/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14)
InChIKeyRXRNPNMMLSLVNI-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 119036518) is 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is CSCC1CCCN1Cc1cccc(N)n1.
What is the InChIKey of 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is RXRNPNMMLSLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-16-9-11-5-3-7-15(11)8-10-4-2-6-12(13)14-10/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14).
What are the key properties of 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 119036518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).