N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine

C15H25NOS — CID 64651121

IUPACN-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine
SMILESCCCS(=O)C(CC)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-4-12-18(17)14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3
InChIKeyCCFDKODEEYUBSW-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds8

About N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine

N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine (PubChem CID 64651121) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine
PubChem CID64651121
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine
SMILESCCCS(=O)C(CC)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-4-12-18(17)14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3
InChIKeyCCFDKODEEYUBSW-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651956
N-ethyl-3-methyl-2-pentylsulfinyl-1-phenylbutan-1-amine
CID 107758792
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-2-(2-methylbutylsulfinyl)-1-phenylbutan-1-amine
CID 107759910
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
3-(ethylamino)-2,3-diphenylpropanoic acid
CID 50877823
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine (CID 64651121) is N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine is CCCS(=O)C(CC)C(NCC)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The InChIKey is CCFDKODEEYUBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-12-18(17)14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3.
What are the key properties of N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine?
N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-2-propylsulfinylbutan-1-amine is sourced from PubChem (CID 64651121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).