5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine

C16H27NO3S — CID 65430810

IUPAC5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNCCOC)c1ccccc1
InChIInChI=1S/C16H27NO3S/c1-3-21(18,19)13-7-10-16(14-17-11-12-20-2)15-8-5-4-6-9-15/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3
InChIKeySBFVCQBCXHZAEG-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.22
Rot. Bonds11

About 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine

5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine (PubChem CID 65430810) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
PubChem CID65430810
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNCCOC)c1ccccc1
InChIInChI=1S/C16H27NO3S/c1-3-21(18,19)13-7-10-16(14-17-11-12-20-2)15-8-5-4-6-9-15/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3
InChIKeySBFVCQBCXHZAEG-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617798
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
CID 22091448
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-phenyl-N-propylnonan-1-amine
CID 65429485

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine (CID 65430810) is 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine is CCS(=O)(=O)CCCC(CNCCOC)c1ccccc1.
What is the InChIKey of 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine?
The InChIKey is SBFVCQBCXHZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-3-21(18,19)13-7-10-16(14-17-11-12-20-2)15-8-5-4-6-9-15/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine?
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine has a molecular weight of 313.46 g/mol, XLogP of 2.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine is sourced from PubChem (CID 65430810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).