N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide

C14H24N2O2S — CID 71677771

IUPACN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLLYDBPSCQPGQNQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.76
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide

N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 71677771) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID71677771
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLLYDBPSCQPGQNQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 750930
p-Toluenesulfonamide, N-(2-dimethylaminoethyl)-
CID 101480
1-Phenylmethanesulfonylpiperazine
CID 2512733
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 72704498
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
{2-[(4-Methylphenyl)methylthio]ethyl}(methylsulfonyl)amine
CID 2899521
N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide
CID 71688900
1-(Benzylsulfonyl)-4-(butan-2-yl)piperazine
CID 3145554
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide (CID 71677771) is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide is CCN(CC)CCNS(=O)(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is LLYDBPSCQPGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 71677771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).