(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide

C15H31NOS — CID 135000629

IUPAC(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCC(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-7-8-9-10-14(12-11-13(2)3)16-18(17)15(4,5)6/h9-10,13-14,16H,7-8,11-12H2,1-6H3/b10-9+/t14-,18-/m1/s1
InChIKeyCDAKUWSNBWCQOL-YTOTVDJJSA-N
MW273.49 g/mol
LogP4.20
Rot. Bonds8

About (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide (PubChem CID 135000629) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
PubChem CID135000629
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCC(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-7-8-9-10-14(12-11-13(2)3)16-18(17)15(4,5)6/h9-10,13-14,16H,7-8,11-12H2,1-6H3/b10-9+/t14-,18-/m1/s1
InChIKeyCDAKUWSNBWCQOL-YTOTVDJJSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 54.20
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

2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
(S)-2-methyl-N-[(3R)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 71573514
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(1S)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939663
(R)-N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939670
(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-[(3S)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 134963746
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide (CID 135000629) is (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide is CCC/C=C/[C@H](CCC(C)C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide?
The InChIKey is CDAKUWSNBWCQOL-YTOTVDJJSA-N. The full InChI is InChI=1S/C15H31NOS/c1-7-8-9-10-14(12-11-13(2)3)16-18(17)15(4,5)6/h9-10,13-14,16H,7-8,11-12H2,1-6H3/b10-9+/t14-,18-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide has a molecular weight of 273.49 g/mol, XLogP of 4.20, 8 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,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide is sourced from PubChem (CID 135000629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).