1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide

C14H21NO2S — CID 139681155

IUPAC1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)C1(C)C=CC(C)=CC1
InChIInChI=1S/C14H21NO2S/c1-5-11-15(12-6-2)18(16,17)14(4)9-7-13(3)8-10-14/h5-9H,1-2,10-12H2,3-4H3
InChIKeyCVVYFROVEHPCNL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.66
Rot. Bonds6

About 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide

1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 139681155) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID139681155
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)C1(C)C=CC(C)=CC1
InChIInChI=1S/C14H21NO2S/c1-5-11-15(12-6-2)18(16,17)14(4)9-7-13(3)8-10-14/h5-9H,1-2,10-12H2,3-4H3
InChIKeyCVVYFROVEHPCNL-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide (CID 139681155) is 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)C1(C)C=CC(C)=CC1.
What is the InChIKey of 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is CVVYFROVEHPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-5-11-15(12-6-2)18(16,17)14(4)9-7-13(3)8-10-14/h5-9H,1-2,10-12H2,3-4H3.
What are the key properties of 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide?
1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 139681155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).