(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide

C13H27NO2S — CID 146353096

IUPAC(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide
SMILESCC(C)(C)C/C=C\CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-12(2,3)10-8-7-9-11-17(15,16)14-13(4,5)6/h7-8,14H,9-11H2,1-6H3/b8-7-
InChIKeyHCRGLVCDFBZLHU-FPLPWBNLSA-N
MW261.43 g/mol
LogP3.09
Rot. Bonds5

About (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide

(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide (PubChem CID 146353096) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide
PubChem CID146353096
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide
SMILESCC(C)(C)C/C=C\CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-12(2,3)10-8-7-9-11-17(15,16)14-13(4,5)6/h7-8,14H,9-11H2,1-6H3/b8-7-
InChIKeyHCRGLVCDFBZLHU-FPLPWBNLSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide?
The IUPAC name of (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide (CID 146353096) is (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide.
What is the SMILES notation for (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide?
The canonical SMILES for (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide is CC(C)(C)C/C=C\CCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide?
The InChIKey is HCRGLVCDFBZLHU-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2,3)10-8-7-9-11-17(15,16)14-13(4,5)6/h7-8,14H,9-11H2,1-6H3/b8-7-.
What are the key properties of (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide?
(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide is sourced from PubChem (CID 146353096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).