N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide

C10H17NO4S2 — CID 103835023

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO4S2/c1-10(12,5-6-15-2)8-11-17(13,14)9-4-3-7-16-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyLPFWKTCMRQPJRB-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.81
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide (PubChem CID 103835023) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
PubChem CID103835023
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO4S2/c1-10(12,5-6-15-2)8-11-17(13,14)9-4-3-7-16-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyLPFWKTCMRQPJRB-UHFFFAOYSA-N
XLogP0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 103835050
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
4-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 106249681
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
CID 95376528
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide (CID 103835023) is N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide is COCCC(C)(O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide?
The InChIKey is LPFWKTCMRQPJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-10(12,5-6-15-2)8-11-17(13,14)9-4-3-7-16-9/h3-4,7,11-12H,5-6,8H2,1-2H3.
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide has a molecular weight of 279.38 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103835023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).