N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine

C14H23NO3S — CID 106513532

IUPACN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCS(=O)(=O)CC1CCCC1)c1ccco1
InChIInChI=1S/C14H23NO3S/c1-12(14-7-4-9-18-14)15-8-10-19(16,17)11-13-5-2-3-6-13/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyIOSHRUGKDKNHJC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 106513532) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID106513532
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCS(=O)(=O)CC1CCCC1)c1ccco1
InChIInChI=1S/C14H23NO3S/c1-12(14-7-4-9-18-14)15-8-10-19(16,17)11-13-5-2-3-6-13/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyIOSHRUGKDKNHJC-UHFFFAOYSA-N
XLogP2.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
1-cyclopentyl-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 103158136
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
CID 8920650
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine (CID 106513532) is N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine is CC(NCCS(=O)(=O)CC1CCCC1)c1ccco1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is IOSHRUGKDKNHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12(14-7-4-9-18-14)15-8-10-19(16,17)11-13-5-2-3-6-13/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 285.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 106513532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).