(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide

C9H19NO4S — CID 130367311

IUPAC(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide
SMILESCOCCOC=CCC[C@H](C)S(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(15(10,11)12)5-3-4-6-14-8-7-13-2/h4,6,9H,3,5,7-8H2,1-2H3,(H2,10,11,12)/t9-/m0/s1
InChIKeyRMZQQPCQSJWIAM-VIFPVBQESA-N
MW237.32 g/mol
LogP0.62
Rot. Bonds8

About (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide

(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide (PubChem CID 130367311) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide
PubChem CID130367311
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide
SMILESCOCCOC=CCC[C@H](C)S(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(15(10,11)12)5-3-4-6-14-8-7-13-2/h4,6,9H,3,5,7-8H2,1-2H3,(H2,10,11,12)/t9-/m0/s1
InChIKeyRMZQQPCQSJWIAM-VIFPVBQESA-N
XLogP0.62
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxypentane-2-sulfonamide
CID 165447224
1-(2-methoxyethoxy)but-1-ene
CID 54192618
4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
CID 81194023
1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
CID 162392404
7-oxo-7-silyloxyhept-5-ene-2-sulfonic acid
CID 174702882
4-methylpentane-2-sulfonamide
CID 54354651
1-fluoropropane-2-sulfonamide
CID 175141025
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
hex-5-yne-2-sulfonamide
CID 141106722
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918
(E)-2-(2-methoxyethoxy)-N-methylethenamine
CID 157071407
3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine
CID 116500598

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide?
The IUPAC name of (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide (CID 130367311) is (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide.
What is the SMILES notation for (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide?
The canonical SMILES for (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide is COCCOC=CCC[C@H](C)S(N)(=O)=O.
What is the InChIKey of (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide?
The InChIKey is RMZQQPCQSJWIAM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(15(10,11)12)5-3-4-6-14-8-7-13-2/h4,6,9H,3,5,7-8H2,1-2H3,(H2,10,11,12)/t9-/m0/s1.
What are the key properties of (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide?
(2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(2-methoxyethoxy)hex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).