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

C14H17NO3S — CID 16774640

IUPACN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCC(NCc1ccco1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO3S/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3
InChIKeyRJUZBFZZCKNHCI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.53
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 16774640) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID16774640
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCC(NCc1ccco1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO3S/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3
InChIKeyRJUZBFZZCKNHCI-UHFFFAOYSA-N
XLogP2.53
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 86779412
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfanylmethyl]furan
CID 99829004
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine (CID 16774640) is N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine is CC(NCc1ccco1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is RJUZBFZZCKNHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine?
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 279.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 16774640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).