2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine

C15H25NO2S — CID 64676326

IUPAC2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCCCS(=O)(=O)C(C)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)13(3)15(16-5-2)14-10-8-7-9-11-14/h7-11,13,15-16H,4-6,12H2,1-3H3
InChIKeyQNLZOPNWEOVOIK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.94
Rot. Bonds8

About 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine

2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine (PubChem CID 64676326) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
PubChem CID64676326
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCCCS(=O)(=O)C(C)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)13(3)15(16-5-2)14-10-8-7-9-11-14/h7-11,13,15-16H,4-6,12H2,1-3H3
InChIKeyQNLZOPNWEOVOIK-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methylbutylsulfonyl)-1-(4-methylphenyl)propan-1-amine
CID 107760277
N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
CID 106732316
(2-butylsulfonyl-1-phenylethyl)benzene
CID 58218103
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759153
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-3-methyl-2-pentylsulfinyl-1-phenylbutan-1-amine
CID 107758792

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine (CID 64676326) is 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine is CCCCS(=O)(=O)C(C)C(NCC)c1ccccc1.
What is the InChIKey of 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is QNLZOPNWEOVOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-6-12-19(17,18)13(3)15(16-5-2)14-10-8-7-9-11-14/h7-11,13,15-16H,4-6,12H2,1-3H3.
What are the key properties of 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine?
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64676326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).