3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine

C13H21N3S — CID 65138767

IUPAC3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)CSC2CCCC2)c1
InChIInChI=1S/C13H21N3S/c1-9-6-11(13(15)16-7-9)12(14)8-17-10-4-2-3-5-10/h6-7,10,12H,2-5,8,14H2,1H3,(H2,15,16)
InChIKeyHVOBEZFMHFEXJR-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.65
Rot. Bonds4

About 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine

3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine (PubChem CID 65138767) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
PubChem CID65138767
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)CSC2CCCC2)c1
InChIInChI=1S/C13H21N3S/c1-9-6-11(13(15)16-7-9)12(14)8-17-10-4-2-3-5-10/h6-7,10,12H,2-5,8,14H2,1H3,(H2,15,16)
InChIKeyHVOBEZFMHFEXJR-UHFFFAOYSA-N
XLogP2.65
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine (CID 65138767) is 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine is Cc1cnc(N)c(C(N)CSC2CCCC2)c1.
What is the InChIKey of 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine?
The InChIKey is HVOBEZFMHFEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-6-11(13(15)16-7-9)12(14)8-17-10-4-2-3-5-10/h6-7,10,12H,2-5,8,14H2,1H3,(H2,15,16).
What are the key properties of 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine?
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 65138767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).