(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine

C13H19NOS — CID 101208343

IUPAC(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine
SMILESC=CCS(=O)c1ccccc1[C@@H](C)N(C)C
InChIInChI=1S/C13H19NOS/c1-5-10-16(15)13-9-7-6-8-12(13)11(2)14(3)4/h5-9,11H,1,10H2,2-4H3/t11-,16?/m1/s1
InChIKeyGNDZFELHHSRUEN-ZVDHGWRTSA-N
MW237.37 g/mol
LogP2.60
Rot. Bonds5

About (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine

(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine (PubChem CID 101208343) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine
PubChem CID101208343
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine
SMILESC=CCS(=O)c1ccccc1[C@@H](C)N(C)C
InChIInChI=1S/C13H19NOS/c1-5-10-16(15)13-9-7-6-8-12(13)11(2)14(3)4/h5-9,11H,1,10H2,2-4H3/t11-,16?/m1/s1
InChIKeyGNDZFELHHSRUEN-ZVDHGWRTSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[[(R)-[2-[(1S)-1-(dimethylamino)ethyl]phenyl]sulfinyl]methyl]-2-methylpentan-3-ol
CID 11758751
2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine
CID 24805727
carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
CID 134884111
lithium 2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 139022813
copper(1+);2-[(1S)-1-(dimethylamino)ethyl]benzenethiolate
CID 101044186
1-methylsulfinyl-2-prop-2-enylbenzene
CID 54185332
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
CID 102122071
3-[1-(dimethylamino)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182804
(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
CID 134865644
ethyl 2-[1-(dimethylamino)ethyl]benzoate
CID 67415343
N-[1-(2-bromophenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 175002817
2-[1-(dimethylamino)but-3-enyl]aniline
CID 173049207

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine?
The IUPAC name of (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine (CID 101208343) is (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine is C=CCS(=O)c1ccccc1[C@@H](C)N(C)C.
What is the InChIKey of (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine?
The InChIKey is GNDZFELHHSRUEN-ZVDHGWRTSA-N. The full InChI is InChI=1S/C13H19NOS/c1-5-10-16(15)13-9-7-6-8-12(13)11(2)14(3)4/h5-9,11H,1,10H2,2-4H3/t11-,16?/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine?
(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine is sourced from PubChem (CID 101208343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).