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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Related Compounds

trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
CID 81399364
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]cyclopentan-1-amine
CID 81403374
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
2-(aminomethyl)-N-[(1R)-1-(furan-2-yl)ethyl]cyclohexan-1-amine
CID 81403207
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262274
(3R,4R)-4-[1-(furan-2-yl)ethylamino]pyrrolidin-3-ol
CID 131175689
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066

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).