(2R)-6-cyanohex-5-ene-2-sulfonamide

C7H12N2O2S — CID 130367422

IUPAC(2R)-6-cyanohex-5-ene-2-sulfonamide
SMILESC[C@H](CCC=CC#N)S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-7(12(9,10)11)5-3-2-4-6-8/h2,4,7H,3,5H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyQKCBDCIDCJUACM-SSDOTTSWSA-N
MW188.25 g/mol
LogP0.52
Rot. Bonds4

About (2R)-6-cyanohex-5-ene-2-sulfonamide

(2R)-6-cyanohex-5-ene-2-sulfonamide (PubChem CID 130367422) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is (2R)-6-cyanohex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R)-6-cyanohex-5-ene-2-sulfonamide
PubChem CID130367422
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name(2R)-6-cyanohex-5-ene-2-sulfonamide
SMILESC[C@H](CCC=CC#N)S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-7(12(9,10)11)5-3-2-4-6-8/h2,4,7H,3,5H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyQKCBDCIDCJUACM-SSDOTTSWSA-N
XLogP0.52
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-methylsulfonylhept-2-enenitrile
CID 90047007
7-Methylsulfonylhept-2-enenitrile
CID 123809446
(2S)-6-cyanohex-5-ene-2-sulfonamide
CID 130367418
Hept-5-ene-2-sulfonamide
CID 153843394
5-Cyanopent-4-ene-1-sulfonamide
CID 173960450

Frequently Asked Questions

What is the IUPAC name of (2R)-6-cyanohex-5-ene-2-sulfonamide?
The IUPAC name of (2R)-6-cyanohex-5-ene-2-sulfonamide (CID 130367422) is (2R)-6-cyanohex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R)-6-cyanohex-5-ene-2-sulfonamide?
The canonical SMILES for (2R)-6-cyanohex-5-ene-2-sulfonamide is C[C@H](CCC=CC#N)S(N)(=O)=O.
What is the InChIKey of (2R)-6-cyanohex-5-ene-2-sulfonamide?
The InChIKey is QKCBDCIDCJUACM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-7(12(9,10)11)5-3-2-4-6-8/h2,4,7H,3,5H2,1H3,(H2,9,10,11)/t7-/m1/s1.
What are the key properties of (2R)-6-cyanohex-5-ene-2-sulfonamide?
(2R)-6-cyanohex-5-ene-2-sulfonamide has a molecular weight of 188.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-cyanohex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).