N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline

C19H23NOS — CID 11066976

IUPACN,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline
SMILESCC(C)/C(=C\S(=O)c1ccccc1N(C)C)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-15(2)17(16-10-6-5-7-11-16)14-22(21)19-13-9-8-12-18(19)20(3)4/h5-15H,1-4H3/b17-14+
InChIKeyJXPSCHOWJLCSNZ-SAPNQHFASA-N
MW313.47 g/mol
LogP4.56
Rot. Bonds5

About N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline

N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline (PubChem CID 11066976) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline
PubChem CID11066976
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline
SMILESCC(C)/C(=C\S(=O)c1ccccc1N(C)C)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-15(2)17(16-10-6-5-7-11-16)14-22(21)19-13-9-8-12-18(19)20(3)4/h5-15H,1-4H3/b17-14+
InChIKeyJXPSCHOWJLCSNZ-SAPNQHFASA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfinyl-N,N-dimethylaniline
CID 86245441
4-methyl-3-phenylpent-2-enal
CID 86256900
3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol
CID 11746361
(3-methyl-1-nitrobut-1-en-2-yl)benzene
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CID 87135546
CID 87135546
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
(Z)-4-methyl-3-phenylpent-2-enenitrile
CID 23262622
(E)-4-methyl-3-phenylpent-2-enenitrile
CID 13354635
[(E,2R)-5-methyl-4-phenylhex-3-en-2-yl] acetate
CID 11481678
2-[2-[(S)-methylsulfinyl]phenyl]acetic acid
CID 97358995
[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
4-[(E)-3-methyl-2-phenylbut-1-enyl]aniline
CID 173482335

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline?
The IUPAC name of N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline (CID 11066976) is N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline.
What is the SMILES notation for N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline?
The canonical SMILES for N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline is CC(C)/C(=C\S(=O)c1ccccc1N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline?
The InChIKey is JXPSCHOWJLCSNZ-SAPNQHFASA-N. The full InChI is InChI=1S/C19H23NOS/c1-15(2)17(16-10-6-5-7-11-16)14-22(21)19-13-9-8-12-18(19)20(3)4/h5-15H,1-4H3/b17-14+.
What are the key properties of N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline?
N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline has a molecular weight of 313.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-3-methyl-2-phenylbut-1-enyl]sulfinylaniline is sourced from PubChem (CID 11066976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).