N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine

C14H23NS2 — CID 113262274

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NC2CCCC2SC)s1
InChIInChI=1S/C14H23NS2/c1-4-11-8-9-13(17-11)10(2)15-12-6-5-7-14(12)16-3/h8-10,12,14-15H,4-7H2,1-3H3
InChIKeyNASNNHKIEWVDSI-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 113262274) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID113262274
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NC2CCCC2SC)s1
InChIInChI=1S/C14H23NS2/c1-4-11-8-9-13(17-11)10(2)15-12-6-5-7-14(12)16-3/h8-10,12,14-15H,4-7H2,1-3H3
InChIKeyNASNNHKIEWVDSI-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 113262274) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine is CCc1ccc(C(C)NC2CCCC2SC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is NASNNHKIEWVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-4-11-8-9-13(17-11)10(2)15-12-6-5-7-14(12)16-3/h8-10,12,14-15H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 113262274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).