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

C12H19NO3S3 — CID 106001276

IUPAC5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C12H19NO3S3/c1-17-11-5-3-2-4-10(11)13-19(15,16)12-7-6-9(8-14)18-12/h6-7,10-11,13-14H,2-5,8H2,1H3
InChIKeyHPOMMLYKZORWNH-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.19
Rot. Bonds5

About 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106001276) has the molecular formula C12H19NO3S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106001276
Molecular FormulaC12H19NO3S3
Molecular Weight321.49 g/mol
Exact Mass321.05
IUPAC Name5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C12H19NO3S3/c1-17-11-5-3-2-4-10(11)13-19(15,16)12-7-6-9(8-14)18-12/h6-7,10-11,13-14H,2-5,8H2,1H3
InChIKeyHPOMMLYKZORWNH-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

5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106001276) is 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CSC1CCCCC1NS(=O)(=O)c1ccc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is HPOMMLYKZORWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S3/c1-17-11-5-3-2-4-10(11)13-19(15,16)12-7-6-9(8-14)18-12/h6-7,10-11,13-14H,2-5,8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-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 5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106001276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).