N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine

C14H23NO2S — CID 64703972

IUPACN-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-5-15-12(3)10-13(4)18(16,17)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyKTJILBQZXPVMAI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine

N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine (PubChem CID 64703972) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
PubChem CID64703972
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-5-15-12(3)10-13(4)18(16,17)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyKTJILBQZXPVMAI-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
CID 64705187
4-(benzenesulfonyl)-N-propylpentan-2-amine
CID 64704973
4-(4-nitrophenyl)sulfonyl-N-propylpentan-2-amine
CID 64703983
1-[(2R)-heptan-2-yl]sulfonyl-4-methylbenzene
CID 132821411
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469
ethyl 3-(4-methylphenyl)sulfonylbutanoate
CID 54941265
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine
CID 114792092
1-methyl-4-(1-nitroethylsulfonyl)benzene
CID 12512634
4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
CID 71762025
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine?
The IUPAC name of N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine (CID 64703972) is N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine is CCNC(C)CC(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine?
The InChIKey is KTJILBQZXPVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-15-12(3)10-13(4)18(16,17)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3.
What are the key properties of N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine?
N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64703972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).