5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide

C13H23NO2S2 — CID 55365027

IUPAC5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)s1
InChIInChI=1S/C13H23NO2S2/c1-10(2)6-5-7-11(3)14-18(15,16)13-9-8-12(4)17-13/h8-11,14H,5-7H2,1-4H3
InChIKeyNKUFEMZBFQVAME-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.55
Rot. Bonds7

About 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide

5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide (PubChem CID 55365027) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
PubChem CID55365027
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC Name5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)s1
InChIInChI=1S/C13H23NO2S2/c1-10(2)6-5-7-11(3)14-18(15,16)13-9-8-12(4)17-13/h8-11,14H,5-7H2,1-4H3
InChIKeyNKUFEMZBFQVAME-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 59255563
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide (CID 55365027) is 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(C)CCCC(C)C)s1.
What is the InChIKey of 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide?
The InChIKey is NKUFEMZBFQVAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-10(2)6-5-7-11(3)14-18(15,16)13-9-8-12(4)17-13/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide?
5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide has a molecular weight of 289.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 55365027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).