N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide

C12H19NO2S2 — CID 75448253

IUPACN-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
SMILESCCSCCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H19NO2S2/c1-3-16-10-9-13(17(2,14)15)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyQDMMNSUPGPUATR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds7

About N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide

N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide (PubChem CID 75448253) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
PubChem CID75448253
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
SMILESCCSCCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H19NO2S2/c1-3-16-10-9-13(17(2,14)15)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyQDMMNSUPGPUATR-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-benzyl-N-[2-(2-oxo-1,3,4-thiadiazol-3-yl)ethyl]methanesulfonamide
CID 99825117
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide (CID 75448253) is N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide is CCSCCN(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide?
The InChIKey is QDMMNSUPGPUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-3-16-10-9-13(17(2,14)15)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide?
N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide has a molecular weight of 273.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide is sourced from PubChem (CID 75448253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).