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

C14H23NO4S2 — CID 106001244

IUPAC4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)c2c(C)oc(C)c2CO)C1
InChIInChI=1S/C14H23NO4S2/c1-9-13(8-16)14(10(2)19-9)21(17,18)15-11-5-4-6-12(7-11)20-3/h11-12,15-16H,4-8H2,1-3H3
InChIKeyIVFBTUPKHHWHHJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.34
Rot. Bonds5

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

4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide (PubChem CID 106001244) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
PubChem CID106001244
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Name4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)c2c(C)oc(C)c2CO)C1
InChIInChI=1S/C14H23NO4S2/c1-9-13(8-16)14(10(2)19-9)21(17,18)15-11-5-4-6-12(7-11)20-3/h11-12,15-16H,4-8H2,1-3H3
InChIKeyIVFBTUPKHHWHHJ-UHFFFAOYSA-N
XLogP2.34
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106001245
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091338
5-methyl-4-(methylaminomethyl)-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106091335
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
CID 103850413
5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106000990
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide (CID 106001244) is 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide is CSC1CCCC(NS(=O)(=O)c2c(C)oc(C)c2CO)C1.
What is the InChIKey of 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The InChIKey is IVFBTUPKHHWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-9-13(8-16)14(10(2)19-9)21(17,18)15-11-5-4-6-12(7-11)20-3/h11-12,15-16H,4-8H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide?
4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide is sourced from PubChem (CID 106001244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).