N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide

C15H20N2O3S — CID 81369614

IUPACN-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C)c2)o1
InChIInChI=1S/C15H20N2O3S/c1-11-5-4-6-13(9-11)12(2)17-10-14-7-8-15(20-14)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1
InChIKeyWYZRMPHCTAIGTR-LBPRGKRZSA-N
MW308.40 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide

N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide (PubChem CID 81369614) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
PubChem CID81369614
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C)c2)o1
InChIInChI=1S/C15H20N2O3S/c1-11-5-4-6-13(9-11)12(2)17-10-14-7-8-15(20-14)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1
InChIKeyWYZRMPHCTAIGTR-LBPRGKRZSA-N
XLogP2.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
3-[(1S)-1-[[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97103929
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81369021
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide (CID 81369614) is N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide is CNS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C)c2)o1.
What is the InChIKey of N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is WYZRMPHCTAIGTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-5-4-6-13(9-11)12(2)17-10-14-7-8-15(20-14)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide?
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 81369614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).