N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide

C11H15NO3S — CID 51673993

IUPACN,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C[C@H]2CO2)cc1
InChIInChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12(2)7-10-8-15-10/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyGFUITOGSNWRXLY-JTQLQIEISA-N
MW241.31 g/mol
LogP1.01
Rot. Bonds4

About N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide

N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide (PubChem CID 51673993) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
PubChem CID51673993
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C[C@H]2CO2)cc1
InChIInChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12(2)7-10-8-15-10/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyGFUITOGSNWRXLY-JTQLQIEISA-N
XLogP1.01
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253100
4-bromo-N-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 87253101
4-(4-methylphenyl)sulfonyl-N,N-bis(oxiran-2-ylmethyl)aniline
CID 171467877
3-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253102
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
2-[(2R)-oxiran-2-yl]ethyl 4-methylbenzenesulfonate
CID 11770614
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
4-methylbenzenesulfonic acid;[(2R)-oxiran-2-yl]methanol
CID 122197608
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
3-[3-[methyl-[[(2S)-oxiran-2-yl]methyl]sulfamoyl]phenyl]benzoic acid
CID 87481287
3-iodo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]-5-(3-oxopropyl)benzenesulfonamide
CID 89119220

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide (CID 51673993) is N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C[C@H]2CO2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide?
The InChIKey is GFUITOGSNWRXLY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12(2)7-10-8-15-10/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide?
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 51673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).