5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine

C14H23NO2S — CID 65098048

IUPAC5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(C)(N)Cc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-18(16,17)11-7-10-14(2,15)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12,15H2,1-2H3
InChIKeyZNVDNFLRFBNFLY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.16
Rot. Bonds7

About 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine

5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine (PubChem CID 65098048) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine
PubChem CID65098048
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(C)(N)Cc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-18(16,17)11-7-10-14(2,15)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12,15H2,1-2H3
InChIKeyZNVDNFLRFBNFLY-UHFFFAOYSA-N
XLogP2.16
TPSA60.16 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
[5-(4,4-diphenoxypentylsulfonyl)-2-phenoxypentan-2-yl]oxybenzene
CID 175210947
3-methyl-1-phenylheptan-3-amine
CID 121493813
4-ethyl-2-methyl-1-phenylhexan-2-amine
CID 82920478
2-(3-ethylsulfonylpropyl)-2-phenylpropane-1,3-diol
CID 79449954
3-benzylhexan-3-amine
CID 79007389
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
[3-(bromomethyl)-6-ethylsulfonylhexan-3-yl]benzene
CID 66050254
(2,2-dimethyl-3-phenylpropyl) sulfamate
CID 122528733

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine (CID 65098048) is 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine is CCS(=O)(=O)CCCC(C)(N)Cc1ccccc1.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine?
The InChIKey is ZNVDNFLRFBNFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-18(16,17)11-7-10-14(2,15)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12,15H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine?
5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine is sourced from PubChem (CID 65098048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).