1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine

C18H23NO3S — CID 86779412

IUPAC1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC(NCc1ccco1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H23NO3S/c1-14(19-13-16-5-4-12-22-16)15-8-10-18(11-9-15)23(20,21)17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3
InChIKeyHPCIQDNBXMRKOY-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine

1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 86779412) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID86779412
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC(NCc1ccco1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H23NO3S/c1-14(19-13-16-5-4-12-22-16)15-8-10-18(11-9-15)23(20,21)17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3
InChIKeyHPCIQDNBXMRKOY-UHFFFAOYSA-N
XLogP3.85
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 119122066
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
1-(1-bromoethyl)-4-cyclopropylsulfonylbenzene
CID 166150417
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
CID 82501956
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine (CID 86779412) is 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine is CC(NCc1ccco1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is HPCIQDNBXMRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(19-13-16-5-4-12-22-16)15-8-10-18(11-9-15)23(20,21)17-6-2-3-7-17/h4-5,8-12,14,17,19H,2-3,6-7,13H2,1H3.
What are the key properties of 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine?
1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 333.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 86779412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).