2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide

C17H35NOS — CID 101370607

IUPAC2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
SMILESC=C(C)C[C@@H](CCCCCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C17H35NOS/c1-7-8-9-10-11-12-13-16(14-15(2)3)18-20(19)17(4,5)6/h16,18H,2,7-14H2,1,3-6H3/t16-,20?/m1/s1
InChIKeyITYUSVUCIIANLP-QRIPLOBPSA-N
MW301.54 g/mol
LogP5.12
Rot. Bonds11

About 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide

2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide (PubChem CID 101370607) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
PubChem CID101370607
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
SMILESC=C(C)C[C@@H](CCCCCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C17H35NOS/c1-7-8-9-10-11-12-13-16(14-15(2)3)18-20(19)17(4,5)6/h16,18H,2,7-14H2,1,3-6H3/t16-,20?/m1/s1
InChIKeyITYUSVUCIIANLP-QRIPLOBPSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.54
LogP ≤ 55.12
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
(S)-2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 46944527
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
N-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 101370606
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide
CID 89037262
2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide
CID 130357909
2-methyl-N-[(2S)-4-methylpent-4-en-2-yl]propane-2-sulfinamide
CID 144371387
(R)-2-methyl-N-[(4R)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 11630835
(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide
CID 25171481
(S)-N-[(2R)-hept-6-en-2-yl]-2-methylpropane-2-sulfinamide
CID 49765629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide (CID 101370607) is 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide is C=C(C)C[C@@H](CCCCCCCC)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is ITYUSVUCIIANLP-QRIPLOBPSA-N. The full InChI is InChI=1S/C17H35NOS/c1-7-8-9-10-11-12-13-16(14-15(2)3)18-20(19)17(4,5)6/h16,18H,2,7-14H2,1,3-6H3/t16-,20?/m1/s1.
What are the key properties of 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide?
2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 301.54 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 101370607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).