N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide

C14H18N2O3S — CID 81351573

IUPACN-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H18N2O3S/c1-11(12-6-4-3-5-7-12)16-10-13-8-9-14(19-13)20(17,18)15-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m0/s1
InChIKeyZDHNBCJKLOCQTP-NSHDSACASA-N
MW294.38 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide

N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide (PubChem CID 81351573) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
PubChem CID81351573
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C14H18N2O3S/c1-11(12-6-4-3-5-7-12)16-10-13-8-9-14(19-13)20(17,18)15-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m0/s1
InChIKeyZDHNBCJKLOCQTP-NSHDSACASA-N
XLogP2.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
CID 126824589

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide (CID 81351573) is N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide is CNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2)o1.
What is the InChIKey of N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is ZDHNBCJKLOCQTP-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(12-6-4-3-5-7-12)16-10-13-8-9-14(19-13)20(17,18)15-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide?
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.04, 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-phenylethyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 81351573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).