5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide

C12H21NO3S2 — CID 107202942

IUPAC5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CCCCCO)s1
InChIInChI=1S/C12H21NO3S2/c1-3-11-7-8-12(17-11)18(15,16)13(2)9-5-4-6-10-14/h7-8,14H,3-6,9-10H2,1-2H3
InChIKeyHUIWSGHPOQRYCD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds8

About 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide

5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide (PubChem CID 107202942) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
PubChem CID107202942
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CCCCCO)s1
InChIInChI=1S/C12H21NO3S2/c1-3-11-7-8-12(17-11)18(15,16)13(2)9-5-4-6-10-14/h7-8,14H,3-6,9-10H2,1-2H3
InChIKeyHUIWSGHPOQRYCD-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
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

5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 54947843
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110716079
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 62637176
5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999328
5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 47304245
4-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 104698282
2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104654990
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide (CID 107202942) is 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(C)CCCCCO)s1.
What is the InChIKey of 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is HUIWSGHPOQRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-3-11-7-8-12(17-11)18(15,16)13(2)9-5-4-6-10-14/h7-8,14H,3-6,9-10H2,1-2H3.
What are the key properties of 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107202942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).