5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide

C13H21NO4S2 — CID 106000990

IUPAC5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CO)oc2C)CC1
InChIInChI=1S/C13H21NO4S2/c1-9-13(7-11(8-15)18-9)20(16,17)14-10-3-5-12(19-2)6-4-10/h7,10,12,14-15H,3-6,8H2,1-2H3
InChIKeyQPVGOXJIVQOFAI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.03
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide (PubChem CID 106000990) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
PubChem CID106000990
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CO)oc2C)CC1
InChIInChI=1S/C13H21NO4S2/c1-9-13(7-11(8-15)18-9)20(16,17)14-10-3-5-12(19-2)6-4-10/h7,10,12,14-15H,3-6,8H2,1-2H3
InChIKeyQPVGOXJIVQOFAI-UHFFFAOYSA-N
XLogP2.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106000983
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide (CID 106000990) is 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide is CSC1CCC(NS(=O)(=O)c2cc(CO)oc2C)CC1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The InChIKey is QPVGOXJIVQOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-9-13(7-11(8-15)18-9)20(16,17)14-10-3-5-12(19-2)6-4-10/h7,10,12,14-15H,3-6,8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide is sourced from PubChem (CID 106000990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).