1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide

C14H18N2O3S — CID 61472657

IUPAC1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCCc2ccco2)c1
InChIInChI=1S/C14H18N2O3S/c15-10-12-3-1-4-13(9-12)11-20(17,18)16-7-6-14-5-2-8-19-14/h1-5,8-9,16H,6-7,10-11,15H2
InChIKeyHLEPDKNTEYXCDP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.40
Rot. Bonds7

About 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide (PubChem CID 61472657) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
PubChem CID61472657
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NCCc2ccco2)c1
InChIInChI=1S/C14H18N2O3S/c15-10-12-3-1-4-13(9-12)11-20(17,18)16-7-6-14-5-2-8-19-14/h1-5,8-9,16H,6-7,10-11,15H2
InChIKeyHLEPDKNTEYXCDP-UHFFFAOYSA-N
XLogP1.40
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
3-[2-(furan-2-yl)ethylsulfamoylmethyl]benzenecarbothioamide
CID 61470628
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833
1-[3-(aminomethyl)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106423664
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
CID 83962080
2-[[3-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211237
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972457

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide (CID 61472657) is 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide is NCc1cccc(CS(=O)(=O)NCCc2ccco2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide?
The InChIKey is HLEPDKNTEYXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-10-12-3-1-4-13(9-12)11-20(17,18)16-7-6-14-5-2-8-19-14/h1-5,8-9,16H,6-7,10-11,15H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 61472657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).