N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

C14H23NO3S2 — CID 102749832

IUPACN-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H23NO3S2/c1-11-10-19-13(9-16)14(11)20(17,18)15(2)8-12-6-4-3-5-7-12/h10,12,16H,3-9H2,1-2H3
InChIKeyQRUYOOSLXFDDEB-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.75
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102749832) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102749832
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H23NO3S2/c1-11-10-19-13(9-16)14(11)20(17,18)15(2)8-12-6-4-3-5-7-12/h10,12,16H,3-9H2,1-2H3
InChIKeyQRUYOOSLXFDDEB-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Hydroxy-2-methylpropyl)thiophene-3-sulfonic acid [2-(4-fluorophenyl)ethyl]-methyl-amide
CID 86600994
(R)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-thiophen-2-ylmethanol
CID 166441490
[3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65732050
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65742068
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65742266
N-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65743464
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65743665
N-[(3-fluorophenyl)methyl]-5-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65752480
N-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-N-methylthiophene-3-sulfonamide
CID 65752483
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489466
2-fluoro-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489668
4-fluoro-3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489669

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (CID 102749832) is N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is QRUYOOSLXFDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-11-10-19-13(9-16)14(11)20(17,18)15(2)8-12-6-4-3-5-7-12/h10,12,16H,3-9H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).