N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine

C16H27NO2S — CID 103921230

IUPACN-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO2S/c1-5-20(18,19)12-11-17-14(2)13-16(3,4)15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyUEKBHDUOJHMGDP-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.77
Rot. Bonds8

About N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine

N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine (PubChem CID 103921230) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
PubChem CID103921230
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO2S/c1-5-20(18,19)12-11-17-14(2)13-16(3,4)15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyUEKBHDUOJHMGDP-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Win 1161-3
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3-(Phenethylamino)tetrahydrothiophene 1,1-dioxide
CID 415163
N-butyl-2-(2-phenylethylamino)ethanesulfonamide
CID 44602032
N-[(4-tert-butylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
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N-(2-tert-butylsulfonylethyl)-1,2,4,5-tetrahydro-3-benzothiepin-5-amine
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CID 84596001

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine (CID 103921230) is N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine is CCS(=O)(=O)CCNC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine?
The InChIKey is UEKBHDUOJHMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-20(18,19)12-11-17-14(2)13-16(3,4)15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3.
What are the key properties of N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine?
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine is sourced from PubChem (CID 103921230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).