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

C12H25NOS — CID 131866049

IUPAC(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-8-9-10-11(7-2)13-15(14)12(3,4)5/h9-11,13H,6-8H2,1-5H3/b10-9+/t11-,15+/m0/s1
InChIKeyZEFPRRRPGOEKGU-OMMJKRSLSA-N
MW231.40 g/mol
LogP3.17
Rot. Bonds6

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

(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide (PubChem CID 131866049) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
PubChem CID131866049
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-8-9-10-11(7-2)13-15(14)12(3,4)5/h9-11,13H,6-8H2,1-5H3/b10-9+/t11-,15+/m0/s1
InChIKeyZEFPRRRPGOEKGU-OMMJKRSLSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.17
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

(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
Tert-butyl-oxido-(1,1,7-trifluorohept-5-en-3-ylamino)sulfanium
CID 175485443
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
CID 46946712
(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
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878
(R)-N-[(3R)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135019730
(R)-N-[(4R)-hept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135056974

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide (CID 131866049) is (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide is CCC/C=C/[C@H](CC)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide?
The InChIKey is ZEFPRRRPGOEKGU-OMMJKRSLSA-N. The full InChI is InChI=1S/C12H25NOS/c1-6-8-9-10-11(7-2)13-15(14)12(3,4)5/h9-11,13H,6-8H2,1-5H3/b10-9+/t11-,15+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.17, 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-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 131866049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).