N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide

C12H21NO4S2 — CID 106002536

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(CO)s1)C(C)C
InChIInChI=1S/C12H21NO4S2/c1-4-17-8-11(9(2)3)13-19(15,16)12-6-5-10(7-14)18-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3
InChIKeyGYYBNSXKRMDGCP-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.58
Rot. Bonds8

About N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide

N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide (PubChem CID 106002536) has the molecular formula C12H21NO4S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
PubChem CID106002536
Molecular FormulaC12H21NO4S2
Molecular Weight307.44 g/mol
Exact Mass307.09
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(CO)s1)C(C)C
InChIInChI=1S/C12H21NO4S2/c1-4-17-8-11(9(2)3)13-19(15,16)12-6-5-10(7-14)18-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3
InChIKeyGYYBNSXKRMDGCP-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 114135429
N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
CID 106002518
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106051994
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83147123
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide (CID 106002536) is N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide is CCOCC(NS(=O)(=O)c1ccc(CO)s1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide?
The InChIKey is GYYBNSXKRMDGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S2/c1-4-17-8-11(9(2)3)13-19(15,16)12-6-5-10(7-14)18-12/h5-6,9,11,13-14H,4,7-8H2,1-3H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide?
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide has a molecular weight of 307.44 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106002536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).