(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide

C16H33NOS — CID 135000510

IUPAC(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCCCCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H33NOS/c1-6-8-10-12-14-15(13-11-9-7-2)17-19(18)16(3,4)5/h11,13,15,17H,6-10,12,14H2,1-5H3/b13-11+/t15-,19-/m1/s1
InChIKeyATJQLGMUBYYFRM-DZNCOFOMSA-N
MW287.51 g/mol
LogP4.73
Rot. Bonds10

About (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135000510) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
PubChem CID135000510
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCCCCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H33NOS/c1-6-8-10-12-14-15(13-11-9-7-2)17-19(18)16(3,4)5/h11,13,15,17H,6-10,12,14H2,1-5H3/b13-11+/t15-,19-/m1/s1
InChIKeyATJQLGMUBYYFRM-DZNCOFOMSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135006016
(R)-2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
CID 135006017
N-[(E,11R,14R)-14-(tert-butylsulfonylamino)tetracos-12-en-11-yl]-2-methylpropane-2-sulfonamide
CID 11657324
(S)-2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 46944527
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide (CID 135000510) is (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide is CCC/C=C/[C@H](CCCCCC)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ATJQLGMUBYYFRM-DZNCOFOMSA-N. The full InChI is InChI=1S/C16H33NOS/c1-6-8-10-12-14-15(13-11-9-7-2)17-19(18)16(3,4)5/h11,13,15,17H,6-10,12,14H2,1-5H3/b13-11+/t15-,19-/m1/s1.
What are the key properties of (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 287.51 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135000510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).