(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide

C14H29NO2S — CID 146352980

IUPAC(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)C/C=C/CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-12(14(5,6)7)15-18(16,17)11-9-8-10-13(2,3)4/h8-9,12,15H,10-11H2,1-7H3/b9-8+/t12-/m1/s1
InChIKeyFBHFXRCJCHOGJO-IDVQTMNDSA-N
MW275.46 g/mol
LogP3.33
Rot. Bonds5

About (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide

(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide (PubChem CID 146352980) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide
PubChem CID146352980
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)C/C=C/CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-12(14(5,6)7)15-18(16,17)11-9-8-10-13(2,3)4/h8-9,12,15H,10-11H2,1-7H3/b9-8+/t12-/m1/s1
InChIKeyFBHFXRCJCHOGJO-IDVQTMNDSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.33
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 (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide?
The IUPAC name of (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide (CID 146352980) is (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide is C[C@@H](NS(=O)(=O)C/C=C/CC(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide?
The InChIKey is FBHFXRCJCHOGJO-IDVQTMNDSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(14(5,6)7)15-18(16,17)11-9-8-10-13(2,3)4/h8-9,12,15H,10-11H2,1-7H3/b9-8+/t12-/m1/s1.
What are the key properties of (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide?
(E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethylhex-2-ene-1-sulfonamide is sourced from PubChem (CID 146352980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).