4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide

C11H15NO3S — CID 10060253

IUPAC4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CO2)cc1
InChIInChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(13,14)12-9(2)11-7-15-11/h3-6,9,11-12H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyCNNDHFPJCKVZSL-GXSJLCMTSA-N
MW241.31 g/mol
LogP1.06
Rot. Bonds4

About 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide

4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide (PubChem CID 10060253) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
PubChem CID10060253
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CO2)cc1
InChIInChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(13,14)12-9(2)11-7-15-11/h3-6,9,11-12H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyCNNDHFPJCKVZSL-GXSJLCMTSA-N
XLogP1.06
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
CID 89212205
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
[(1S)-1-[(2S,3S)-3-[(1R)-1-[(4-methylphenyl)sulfonylamino]ethyl]oxiran-2-yl]ethyl] acetate
CID 10404177
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]benzenesulfonamide
CID 778794
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide (CID 10060253) is 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CO2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide?
The InChIKey is CNNDHFPJCKVZSL-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(13,14)12-9(2)11-7-15-11/h3-6,9,11-12H,7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide?
4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 10060253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).