N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine

C14H23NO2S — CID 63198265

IUPACN-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccc(S(C)(=O)=O)cc1)NCC
InChIInChI=1S/C14H23NO2S/c1-4-6-13(15-5-2)11-12-7-9-14(10-8-12)18(3,16)17/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyXHSGHYCJKZDAET-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.41
Rot. Bonds7

About N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine

N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine (PubChem CID 63198265) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
PubChem CID63198265
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccc(S(C)(=O)=O)cc1)NCC
InChIInChI=1S/C14H23NO2S/c1-4-6-13(15-5-2)11-12-7-9-14(10-8-12)18(3,16)17/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyXHSGHYCJKZDAET-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-methoxy-3-(4-methylsulfonylphenyl)-N-propylpropan-2-amine
CID 63197601
1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine
CID 63199641
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
CID 64639026
1-ethyl-4-methylsulfonylbenzene
CID 143759723
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
CID 12006738
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-[(2S)-3-fluoro-2-methylpropyl]-4-methylsulfonylbenzene
CID 59667829
N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
CID 63202263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine (CID 63198265) is N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine is CCCC(Cc1ccc(S(C)(=O)=O)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine?
The InChIKey is XHSGHYCJKZDAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-6-13(15-5-2)11-12-7-9-14(10-8-12)18(3,16)17/h7-10,13,15H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine?
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine is sourced from PubChem (CID 63198265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).