5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide

C11H17NO3S2 — CID 59255563

IUPAC5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S2/c1-4-8(2)10(7-13)12-17(14,15)11-6-5-9(3)16-11/h5-8,10,12H,4H2,1-3H3/t8-,10+/m0/s1
InChIKeyJETXILVFLPUOPQ-WCBMZHEXSA-N
MW275.39 g/mol
LogP1.95
Rot. Bonds6

About 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide

5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide (PubChem CID 59255563) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
PubChem CID59255563
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S2/c1-4-8(2)10(7-13)12-17(14,15)11-6-5-9(3)16-11/h5-8,10,12H,4H2,1-3H3/t8-,10+/m0/s1
InChIKeyJETXILVFLPUOPQ-WCBMZHEXSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
CID 55365027
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
CID 20649447
3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
CID 55101734
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide (CID 59255563) is 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide is CC[C@H](C)[C@@H](C=O)NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is JETXILVFLPUOPQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-4-8(2)10(7-13)12-17(14,15)11-6-5-9(3)16-11/h5-8,10,12H,4H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59255563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).