(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide

C16H32N4O6S2 — CID 160850063

IUPAC(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide
SMILESC=CCC[C@@H](C(=O)N(C)C)S(N)(=O)=O.C=CCC[C@H](C(=O)N(C)C)S(N)(=O)=O
InChIInChI=1S/2C8H16N2O3S/c2*1-4-5-6-7(14(9,12)13)8(11)10(2)3/h2*4,7H,1,5-6H2,2-3H3,(H2,9,12,13)/t2*7-/m10/s1
InChIKeySJDJNKJOUBIUPV-UNLCMTKJSA-N
MW440.59 g/mol
LogP-0.60
Rot. Bonds10

About (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide

(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide (PubChem CID 160850063) has the molecular formula C16H32N4O6S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide
PubChem CID160850063
Molecular FormulaC16H32N4O6S2
Molecular Weight440.59 g/mol
Exact Mass440.18
IUPAC Name(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide
SMILESC=CCC[C@@H](C(=O)N(C)C)S(N)(=O)=O.C=CCC[C@H](C(=O)N(C)C)S(N)(=O)=O
InChIInChI=1S/2C8H16N2O3S/c2*1-4-5-6-7(14(9,12)13)8(11)10(2)3/h2*4,7H,1,5-6H2,2-3H3,(H2,9,12,13)/t2*7-/m10/s1
InChIKeySJDJNKJOUBIUPV-UNLCMTKJSA-N
XLogP-0.60
TPSA160.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide?
The IUPAC name of (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide (CID 160850063) is (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide is C=CCC[C@@H](C(=O)N(C)C)S(N)(=O)=O.C=CCC[C@H](C(=O)N(C)C)S(N)(=O)=O.
What is the InChIKey of (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide?
The InChIKey is SJDJNKJOUBIUPV-UNLCMTKJSA-N. The full InChI is InChI=1S/2C8H16N2O3S/c2*1-4-5-6-7(14(9,12)13)8(11)10(2)3/h2*4,7H,1,5-6H2,2-3H3,(H2,9,12,13)/t2*7-/m10/s1.
What are the key properties of (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide?
(2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide has a molecular weight of 440.59 g/mol, XLogP of -0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-sulfamoylhex-5-enamide;(2R)-N,N-dimethyl-2-sulfamoylhex-5-enamide is sourced from PubChem (CID 160850063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).