methyl 6-(thiophen-2-ylsulfonylamino)hexanoate

C11H17NO4S2 — CID 43404961

IUPACmethyl 6-(thiophen-2-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H17NO4S2/c1-16-10(13)6-3-2-4-8-12-18(14,15)11-7-5-9-17-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyUUPFJMOZBLOVEG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.76
Rot. Bonds8

About methyl 6-(thiophen-2-ylsulfonylamino)hexanoate

methyl 6-(thiophen-2-ylsulfonylamino)hexanoate (PubChem CID 43404961) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 6-(thiophen-2-ylsulfonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(thiophen-2-ylsulfonylamino)hexanoate
PubChem CID43404961
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Namemethyl 6-(thiophen-2-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H17NO4S2/c1-16-10(13)6-3-2-4-8-12-18(14,15)11-7-5-9-17-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyUUPFJMOZBLOVEG-UHFFFAOYSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-dodecylthiophene-2-sulfonamide
CID 19681497
N-pentylthiophene-2-sulfonamide
CID 5150701
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008

Frequently Asked Questions

What is the IUPAC name of methyl 6-(thiophen-2-ylsulfonylamino)hexanoate?
The IUPAC name of methyl 6-(thiophen-2-ylsulfonylamino)hexanoate (CID 43404961) is methyl 6-(thiophen-2-ylsulfonylamino)hexanoate.
What is the SMILES notation for methyl 6-(thiophen-2-ylsulfonylamino)hexanoate?
The canonical SMILES for methyl 6-(thiophen-2-ylsulfonylamino)hexanoate is COC(=O)CCCCCNS(=O)(=O)c1cccs1.
What is the InChIKey of methyl 6-(thiophen-2-ylsulfonylamino)hexanoate?
The InChIKey is UUPFJMOZBLOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-16-10(13)6-3-2-4-8-12-18(14,15)11-7-5-9-17-11/h5,7,9,12H,2-4,6,8H2,1H3.
What are the key properties of methyl 6-(thiophen-2-ylsulfonylamino)hexanoate?
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate has a molecular weight of 291.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(thiophen-2-ylsulfonylamino)hexanoate is sourced from PubChem (CID 43404961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).