(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide

C8H15NO2S — CID 166830456

IUPAC(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C=C)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-4-6-8(5-2)7(3)12(9,10)11/h4-5,7-8H,1-2,6H2,3H3,(H2,9,10,11)/t7-,8+/m1/s1
InChIKeySFXSLBGMVAADTK-SFYZADRCSA-N
MW189.28 g/mol
LogP1.04
Rot. Bonds5

About (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide

(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide (PubChem CID 166830456) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
PubChem CID166830456
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
SMILESC=CC[C@H](C=C)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-4-6-8(5-2)7(3)12(9,10)11/h4-5,7-8H,1-2,6H2,3H3,(H2,9,10,11)/t7-,8+/m1/s1
InChIKeySFXSLBGMVAADTK-SFYZADRCSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
hex-5-ene-3-sulfonamide
CID 118903567
(2R,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367538
(2S,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367620
5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 166665239
pent-4-ene-2-sulfonyl chloride
CID 165486149
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide
CID 130367201
(2R)-2-propan-2-ylpent-4-enal
CID 44521428

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide?
The IUPAC name of (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide (CID 166830456) is (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide?
The canonical SMILES for (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide is C=CC[C@H](C=C)[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide?
The InChIKey is SFXSLBGMVAADTK-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-6-8(5-2)7(3)12(9,10)11/h4-5,7-8H,1-2,6H2,3H3,(H2,9,10,11)/t7-,8+/m1/s1.
What are the key properties of (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide?
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethenylhex-5-ene-2-sulfonamide is sourced from PubChem (CID 166830456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).