N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine

C17H29NO2S — CID 65096866

IUPACN,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
SMILESCCNCC(CC)(CCCS(=O)(=O)CC)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-4-17(15-18-5-2,16-11-8-7-9-12-16)13-10-14-21(19,20)6-3/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyORQWCEZDFANRMY-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.16
Rot. Bonds10

About N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine

N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine (PubChem CID 65096866) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
PubChem CID65096866
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
SMILESCCNCC(CC)(CCCS(=O)(=O)CC)c1ccccc1
InChIInChI=1S/C17H29NO2S/c1-4-17(15-18-5-2,16-11-8-7-9-12-16)13-10-14-21(19,20)6-3/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyORQWCEZDFANRMY-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(bromomethyl)-6-ethylsulfonylhexan-3-yl]benzene
CID 66050254
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626
2-(3-ethylsulfonylpropyl)-2-phenylpropane-1,3-diol
CID 79449954
N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617750
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine?
The IUPAC name of N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine (CID 65096866) is N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine.
What is the SMILES notation for N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine?
The canonical SMILES for N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine is CCNCC(CC)(CCCS(=O)(=O)CC)c1ccccc1.
What is the InChIKey of N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine?
The InChIKey is ORQWCEZDFANRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-4-17(15-18-5-2,16-11-8-7-9-12-16)13-10-14-21(19,20)6-3/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3.
What are the key properties of N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine?
N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine is sourced from PubChem (CID 65096866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).