2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide

C11H19NO3S2 — CID 64999084

IUPAC2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide
SMILESCC(C)(COCCc1cccs1)CS(N)(=O)=O
InChIInChI=1S/C11H19NO3S2/c1-11(2,9-17(12,13)14)8-15-6-5-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,12,13,14)
InChIKeyQQTAOWIUEKWJFS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.62
Rot. Bonds7

About 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide

2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide (PubChem CID 64999084) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide
PubChem CID64999084
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide
SMILESCC(C)(COCCc1cccs1)CS(N)(=O)=O
InChIInChI=1S/C11H19NO3S2/c1-11(2,9-17(12,13)14)8-15-6-5-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,12,13,14)
InChIKeyQQTAOWIUEKWJFS-UHFFFAOYSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
2-thiophen-2-ylethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66000795
4-thiophen-2-ylbutyl methanesulfonate
CID 54434869
2-thiophen-2-ylethoxysilane
CID 154346669
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 114995344

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide (CID 64999084) is 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide is CC(C)(COCCc1cccs1)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide?
The InChIKey is QQTAOWIUEKWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-11(2,9-17(12,13)14)8-15-6-5-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide?
2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide is sourced from PubChem (CID 64999084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).