4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid

C12H19NO4S2 — CID 65285268

IUPAC4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1cccs1)CCC(=O)O
InChIInChI=1S/C12H19NO4S2/c1-12(2,6-5-10(14)15)7-8-13-19(16,17)11-4-3-9-18-11/h3-4,9,13H,5-8H2,1-2H3,(H,14,15)
InChIKeyJISYMPYLHZBTRC-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.31
Rot. Bonds8

About 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid

4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid (PubChem CID 65285268) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
PubChem CID65285268
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1cccs1)CCC(=O)O
InChIInChI=1S/C12H19NO4S2/c1-12(2,6-5-10(14)15)7-8-13-19(16,17)11-4-3-9-18-11/h3-4,9,13H,5-8H2,1-2H3,(H,14,15)
InChIKeyJISYMPYLHZBTRC-UHFFFAOYSA-N
XLogP2.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid (CID 65285268) is 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid is CC(C)(CCNS(=O)(=O)c1cccs1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid?
The InChIKey is JISYMPYLHZBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-12(2,6-5-10(14)15)7-8-13-19(16,17)11-4-3-9-18-11/h3-4,9,13H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid?
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid is sourced from PubChem (CID 65285268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).