5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide

C14H25NO3S2 — CID 107818588

IUPAC5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C14H25NO3S2/c1-12(2)7-5-3-4-6-10-15-20(17,18)14-9-8-13(11-16)19-14/h8-9,12,15-16H,3-7,10-11H2,1-2H3
InChIKeyDNGKYGPYRSHXLG-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.13
Rot. Bonds10

About 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide

5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide (PubChem CID 107818588) has the molecular formula C14H25NO3S2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
PubChem CID107818588
Molecular FormulaC14H25NO3S2
Molecular Weight319.49 g/mol
Exact Mass319.13
IUPAC Name5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C14H25NO3S2/c1-12(2)7-5-3-4-6-10-15-20(17,18)14-9-8-13(11-16)19-14/h8-9,12,15-16H,3-7,10-11H2,1-2H3
InChIKeyDNGKYGPYRSHXLG-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83147123
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
6-methylheptylsulfamic acid
CID 87283481
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
N-(3,3-dimethylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 114135429
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106262606
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide (CID 107818588) is 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide is CC(C)CCCCCCNS(=O)(=O)c1ccc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide?
The InChIKey is DNGKYGPYRSHXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S2/c1-12(2)7-5-3-4-6-10-15-20(17,18)14-9-8-13(11-16)19-14/h8-9,12,15-16H,3-7,10-11H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide has a molecular weight of 319.49 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107818588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).