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

C12H19NOS — CID 103786666

IUPACN-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccco1
InChIInChI=1S/C12H19NOS/c1-9(11-6-4-8-14-11)13-10-5-3-7-12(10)15-2/h4,6,8-10,12-13H,3,5,7H2,1-2H3
InChIKeyIXPZJFIZQNHQGY-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.21
Rot. Bonds4

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

N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786666) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786666
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccco1
InChIInChI=1S/C12H19NOS/c1-9(11-6-4-8-14-11)13-10-5-3-7-12(10)15-2/h4,6,8-10,12-13H,3,5,7H2,1-2H3
InChIKeyIXPZJFIZQNHQGY-UHFFFAOYSA-N
XLogP3.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 103786666) is N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IXPZJFIZQNHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(11-6-4-8-14-11)13-10-5-3-7-12(10)15-2/h4,6,8-10,12-13H,3,5,7H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).