(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide

C7H15NO3S — CID 130367429

IUPAC(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
SMILESC=C[C@@H](C[C@H](C)S(N)(=O)=O)OC
InChIInChI=1S/C7H15NO3S/c1-4-7(11-3)5-6(2)12(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)/t6-,7-/m0/s1
InChIKeyPPMZJRVLWBFRCN-BQBZGAKWSA-N
MW193.27 g/mol
LogP0.25
Rot. Bonds5

About (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide

(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide (PubChem CID 130367429) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
PubChem CID130367429
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
SMILESC=C[C@@H](C[C@H](C)S(N)(=O)=O)OC
InChIInChI=1S/C7H15NO3S/c1-4-7(11-3)5-6(2)12(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)/t6-,7-/m0/s1
InChIKeyPPMZJRVLWBFRCN-BQBZGAKWSA-N
XLogP0.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentane-2-sulfonamide
CID 54354651
2,6-dimethyloct-7-ene-4-sulfonamide
CID 166665383
(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
CID 145359201
(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
CID 145359416
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
[(3S)-5-methylhex-1-en-3-yl] carbamate
CID 160680423
methyl [(3S)-5-methylhex-1-en-3-yl] carbonate
CID 102073385
1-fluoropropane-2-sulfonamide
CID 175141025
2-methylhex-5-ene-3-sulfonamide
CID 130367234
5-methylhex-1-en-3-yl 2,2-dichloroacetate
CID 102323553
5-methoxypentane-2-sulfonamide
CID 165447224
3-methoxypent-4-en-2-amine
CID 90962870

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide?
The IUPAC name of (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide (CID 130367429) is (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide?
The canonical SMILES for (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide is C=C[C@@H](C[C@H](C)S(N)(=O)=O)OC.
What is the InChIKey of (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide?
The InChIKey is PPMZJRVLWBFRCN-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-4-7(11-3)5-6(2)12(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)/t6-,7-/m0/s1.
What are the key properties of (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide?
(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxyhex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).