(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide

C17H27NOS — CID 134968659

IUPAC(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide
SMILESC=C[C@@H](c1ccccc1)[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C17H27NOS/c1-7-15(14-11-9-8-10-12-14)16(13(2)3)18-20(19)17(4,5)6/h7-13,15-16,18H,1H2,2-6H3/t15-,16+,20+/m0/s1
InChIKeyTYFOSBIFANVZNB-RZQQEMMASA-N
MW293.48 g/mol
LogP4.03
Rot. Bonds6

About (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide (PubChem CID 134968659) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide
PubChem CID134968659
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide
SMILESC=C[C@@H](c1ccccc1)[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C17H27NOS/c1-7-15(14-11-9-8-10-12-14)16(13(2)3)18-20(19)17(4,5)6/h7-13,15-16,18H,1H2,2-6H3/t15-,16+,20+/m0/s1
InChIKeyTYFOSBIFANVZNB-RZQQEMMASA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.03
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

(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 67270473
N-[(1R,2R)-1,2-bis(4-bromophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 53241861
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
N-[(1S,2R)-1-(benzhydrylideneamino)-1-(4-bromophenyl)-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 164702773
(S)-N-[(3S)-4,4-dimethyl-1-phenylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 46946716
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide (CID 134968659) is (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide is C=C[C@@H](c1ccccc1)[C@H](N[S@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide?
The InChIKey is TYFOSBIFANVZNB-RZQQEMMASA-N. The full InChI is InChI=1S/C17H27NOS/c1-7-15(14-11-9-8-10-12-14)16(13(2)3)18-20(19)17(4,5)6/h7-13,15-16,18H,1H2,2-6H3/t15-,16+,20+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide has a molecular weight of 293.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 134968659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).