(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide

C14H21NOS — CID 135006022

IUPAC(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
SMILESC=CC[C@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5-8,10-11,13,15H,1,9H2,2-4H3/t13-,17+/m0/s1
InChIKeyJNPLVYRMYRSIAU-SUMWQHHRSA-N
MW251.39 g/mol
LogP3.36
Rot. Bonds5

About (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide (PubChem CID 135006022) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
PubChem CID135006022
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
SMILESC=CC[C@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5-8,10-11,13,15H,1,9H2,2-4H3/t13-,17+/m0/s1
InChIKeyJNPLVYRMYRSIAU-SUMWQHHRSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
1-(4-Methylphenyl)ethylamine
CID 577386
(1S)-1-phenylpropan-1-amine
CID 6993773
1-Phenylpropan-1-amine
CID 18054
2-Amino-1-phenylbutane
CID 103771
Phenethylamine, alpha-propyl-
CID 115410
1-Phenylethane-1,2-diamine
CID 432011

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide (CID 135006022) is (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide is C=CC[C@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The InChIKey is JNPLVYRMYRSIAU-SUMWQHHRSA-N. The full InChI is InChI=1S/C14H21NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5-8,10-11,13,15H,1,9H2,2-4H3/t13-,17+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide has a molecular weight of 251.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide is sourced from PubChem (CID 135006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).