N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C13H21NO3S — CID 65044364

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1ccc(C(C)NC2CCCC2S(C)(=O)=O)o1
InChIInChI=1S/C13H21NO3S/c1-9-7-8-12(17-9)10(2)14-11-5-4-6-13(11)18(3,15)16/h7-8,10-11,13-14H,4-6H2,1-3H3
InChIKeyCSUHOTLMKKQVPN-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65044364) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65044364
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1ccc(C(C)NC2CCCC2S(C)(=O)=O)o1
InChIInChI=1S/C13H21NO3S/c1-9-7-8-12(17-9)10(2)14-11-5-4-6-13(11)18(3,15)16/h7-8,10-11,13-14H,4-6H2,1-3H3
InChIKeyCSUHOTLMKKQVPN-UHFFFAOYSA-N
XLogP2.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 65044364) is N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is Cc1ccc(C(C)NC2CCCC2S(C)(=O)=O)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is CSUHOTLMKKQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9-7-8-12(17-9)10(2)14-11-5-4-6-13(11)18(3,15)16/h7-8,10-11,13-14H,4-6H2,1-3H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65044364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).