2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine

C14H23NOS — CID 64650886

IUPAC2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCCS(=O)C(C(C)C)C(NC)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-5-17(16)14(11(2)3)13(15-4)12-9-7-6-8-10-12/h6-11,13-15H,5H2,1-4H3
InChIKeyVQNNEENHBAPPCJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.74
Rot. Bonds6

About 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine

2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 64650886) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
PubChem CID64650886
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCCS(=O)C(C(C)C)C(NC)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-5-17(16)14(11(2)3)13(15-4)12-9-7-6-8-10-12/h6-11,13-15H,5H2,1-4H3
InChIKeyVQNNEENHBAPPCJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
N-ethyl-3-methyl-2-(2-methylbutylsulfinyl)-1-phenylbutan-1-amine
CID 107759910
N-ethyl-3-methyl-2-pentylsulfinyl-1-phenylbutan-1-amine
CID 107758792
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651956
[chloro(ethylsulfinyl)methyl]benzene
CID 24972167
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64658287
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
CID 64660228
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine (CID 64650886) is 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine is CCS(=O)C(C(C)C)C(NC)c1ccccc1.
What is the InChIKey of 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is VQNNEENHBAPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-17(16)14(11(2)3)13(15-4)12-9-7-6-8-10-12/h6-11,13-15H,5H2,1-4H3.
What are the key properties of 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine?
2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64650886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).