2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide

C12H19NO3S3 — CID 106001307

IUPAC2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C12H19NO3S3/c1-17-10-5-3-2-4-9(10)13-19(15,16)12-6-7-18-11(12)8-14/h6-7,9-10,13-14H,2-5,8H2,1H3
InChIKeyQUPSXEOKDFHFHA-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.19
Rot. Bonds5

About 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide

2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide (PubChem CID 106001307) has the molecular formula C12H19NO3S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
PubChem CID106001307
Molecular FormulaC12H19NO3S3
Molecular Weight321.49 g/mol
Exact Mass321.05
IUPAC Name2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C12H19NO3S3/c1-17-10-5-3-2-4-9(10)13-19(15,16)12-6-7-18-11(12)8-14/h6-7,9-10,13-14H,2-5,8H2,1H3
InChIKeyQUPSXEOKDFHFHA-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide (CID 106001307) is 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide is CSC1CCCCC1NS(=O)(=O)c1ccsc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The InChIKey is QUPSXEOKDFHFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S3/c1-17-10-5-3-2-4-9(10)13-19(15,16)12-6-7-18-11(12)8-14/h6-7,9-10,13-14H,2-5,8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106001307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).