(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide

C13H19NOS — CID 56954375

IUPAC(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+/t16-/m1/s1
InChIKeyRNRUVKDGYUVWCV-OJXHRBAXSA-N
MW237.37 g/mol
LogP2.75
Rot. Bonds4

About (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide

(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide (PubChem CID 56954375) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
PubChem CID56954375
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC/C=C/c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+/t16-/m1/s1
InChIKeyRNRUVKDGYUVWCV-OJXHRBAXSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
(R)-N-(3,3-diphenylprop-2-enyl)-2-methylpropane-2-sulfinamide
CID 56969753
2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide
CID 101156269
(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
CID 71750264
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
3-(trichloromethylsulfinyl)prop-1-enylbenzene
CID 71350440
[(E)-3-(trifluoromethylsulfinyl)prop-1-enyl]benzene
CID 122223151
[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
CID 139248357
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide (CID 56954375) is (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)NC/C=C/c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide?
The InChIKey is RNRUVKDGYUVWCV-OJXHRBAXSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h4-10,14H,11H2,1-3H3/b10-7+/t16-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide has a molecular weight of 237.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide is sourced from PubChem (CID 56954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).