2-(2-aminoethylsulfanyl)cyclopentan-1-amine

C7H16N2S — CID 80662216

IUPAC2-(2-aminoethylsulfanyl)cyclopentan-1-amine
SMILESNCCSC1CCCC1N
InChIInChI=1S/C7H16N2S/c8-4-5-10-7-3-1-2-6(7)9/h6-7H,1-5,8-9H2
InChIKeyFYTAGEDQWSRUKJ-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.56
Rot. Bonds3

About 2-(2-aminoethylsulfanyl)cyclopentan-1-amine

2-(2-aminoethylsulfanyl)cyclopentan-1-amine (PubChem CID 80662216) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)cyclopentan-1-amine
PubChem CID80662216
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-(2-aminoethylsulfanyl)cyclopentan-1-amine
SMILESNCCSC1CCCC1N
InChIInChI=1S/C7H16N2S/c8-4-5-10-7-3-1-2-6(7)9/h6-7H,1-5,8-9H2
InChIKeyFYTAGEDQWSRUKJ-UHFFFAOYSA-N
XLogP0.56
TPSA52.04 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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 2-(2-aminoethylsulfanyl)cyclopentan-1-amine (CID 80662216) is 2-(2-aminoethylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 2-(2-aminoethylsulfanyl)cyclopentan-1-amine is NCCSC1CCCC1N.
What is the InChIKey of 2-(2-aminoethylsulfanyl)cyclopentan-1-amine?
The InChIKey is FYTAGEDQWSRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c8-4-5-10-7-3-1-2-6(7)9/h6-7H,1-5,8-9H2.
What are the key properties of 2-(2-aminoethylsulfanyl)cyclopentan-1-amine?
2-(2-aminoethylsulfanyl)cyclopentan-1-amine has a molecular weight of 160.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 80662216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).