3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine

C13H21N3S — CID 65138823

IUPAC3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(CSC1CCCC1)c1cnccc1N
InChIInChI=1S/C13H21N3S/c1-15-13(9-17-10-4-2-3-5-10)11-8-16-7-6-12(11)14/h6-8,10,13,15H,2-5,9H2,1H3,(H2,14,16)
InChIKeySLGUPOJVRHMLQP-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.60
Rot. Bonds5

About 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine

3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine (PubChem CID 65138823) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
PubChem CID65138823
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(CSC1CCCC1)c1cnccc1N
InChIInChI=1S/C13H21N3S/c1-15-13(9-17-10-4-2-3-5-10)11-8-16-7-6-12(11)14/h6-8,10,13,15H,2-5,9H2,1H3,(H2,14,16)
InChIKeySLGUPOJVRHMLQP-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine (CID 65138823) is 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine is CNC(CSC1CCCC1)c1cnccc1N.
What is the InChIKey of 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine?
The InChIKey is SLGUPOJVRHMLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-15-13(9-17-10-4-2-3-5-10)11-8-16-7-6-12(11)14/h6-8,10,13,15H,2-5,9H2,1H3,(H2,14,16).
What are the key properties of 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine?
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 65138823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).