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

C12H19NO3S — CID 81403412

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1S(C)(=O)=O)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-9(11-6-4-8-16-11)13-10-5-3-7-12(10)17(2,14)15/h4,6,8-10,12-13H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyULLKEYDKCKJWNQ-GRZMOONWSA-N
MW257.35 g/mol
LogP1.90
Rot. Bonds4

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

N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 81403412) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID81403412
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1S(C)(=O)=O)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-9(11-6-4-8-16-11)13-10-5-3-7-12(10)17(2,14)15/h4,6,8-10,12-13H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyULLKEYDKCKJWNQ-GRZMOONWSA-N
XLogP1.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044364
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
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-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
2-(aminomethyl)-N-[(1R)-1-(furan-2-yl)ethyl]cyclohexan-1-amine
CID 81403207

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 81403412) is N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is C[C@@H](NC1CCCC1S(C)(=O)=O)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is ULLKEYDKCKJWNQ-GRZMOONWSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(11-6-4-8-16-11)13-10-5-3-7-12(10)17(2,14)15/h4,6,8-10,12-13H,3,5,7H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 81403412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).