(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide

C12H22FNOS — CID 56641841

IUPAC(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](F)[C@H](CC=C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H22FNOS/c1-6-8-10(13)11(9-7-2)14-16(15)12(3,4)5/h6-7,10-11,14H,1-2,8-9H2,3-5H3/t10-,11+,16-/m1/s1
InChIKeyPHIHZPOGVTXASB-OHUAYANFSA-N
MW247.38 g/mol
LogP2.90
Rot. Bonds7

About (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 56641841) has the molecular formula C12H22FNOS and a molecular weight of 247.38 g/mol. Its IUPAC name is (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID56641841
Molecular FormulaC12H22FNOS
Molecular Weight247.38 g/mol
Exact Mass247.14
IUPAC Name(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](F)[C@H](CC=C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H22FNOS/c1-6-8-10(13)11(9-7-2)14-16(15)12(3,4)5/h6-7,10-11,14H,1-2,8-9H2,3-5H3/t10-,11+,16-/m1/s1
InChIKeyPHIHZPOGVTXASB-OHUAYANFSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.90
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

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
(R)-N-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135006016
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
(S)-2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 163278856
N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
CID 163278911

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide (CID 56641841) is (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide is C=CC[C@@H](F)[C@H](CC=C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is PHIHZPOGVTXASB-OHUAYANFSA-N. The full InChI is InChI=1S/C12H22FNOS/c1-6-8-10(13)11(9-7-2)14-16(15)12(3,4)5/h6-7,10-11,14H,1-2,8-9H2,3-5H3/t10-,11+,16-/m1/s1.
What are the key properties of (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 247.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S,5R)-5-fluoroocta-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56641841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).