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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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).