N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine

C12H19NOS — CID 107784168

IUPACN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCCC1Sc1ccoc1C
InChIInChI=1S/C12H19NOS/c1-3-13-10-5-4-6-12(10)15-11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyMKROVJKZYSPKJF-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.21
Rot. Bonds4

About N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine

N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine (PubChem CID 107784168) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
PubChem CID107784168
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCCC1Sc1ccoc1C
InChIInChI=1S/C12H19NOS/c1-3-13-10-5-4-6-12(10)15-11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyMKROVJKZYSPKJF-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-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine (CID 107784168) is N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine is CCNC1CCCC1Sc1ccoc1C.
What is the InChIKey of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The InChIKey is MKROVJKZYSPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-13-10-5-4-6-12(10)15-11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-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-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 107784168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).