N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide

C8H13NO3S — CID 52524091

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C8H13NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h4-5H,6H2,1-3H3
InChIKeyVJGSKPAFIYLVGV-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.98
Rot. Bonds3

About N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide (PubChem CID 52524091) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
PubChem CID52524091
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C8H13NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h4-5H,6H2,1-3H3
InChIKeyVJGSKPAFIYLVGV-UHFFFAOYSA-N
XLogP0.98
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55871150
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 7937794
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54972424
4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779
4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79184917
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
CID 136513753

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide (CID 52524091) is N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide is Cc1ccc(CN(C)S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?
The InChIKey is VJGSKPAFIYLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h4-5H,6H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide has a molecular weight of 203.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 52524091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).