(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide

C15H31NO2S — CID 146352741

IUPAC(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CC/C=C\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-13(15(5,6)7)16-19(17,18)12-10-8-9-11-14(2,3)4/h8-9,13,16H,10-12H2,1-7H3/b9-8-/t13-/m1/s1
InChIKeyMOYRXRUJBATLSA-LJTDUEICSA-N
MW289.48 g/mol
LogP3.72
Rot. Bonds6

About (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide

(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide (PubChem CID 146352741) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide
PubChem CID146352741
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CC/C=C\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-13(15(5,6)7)16-19(17,18)12-10-8-9-11-14(2,3)4/h8-9,13,16H,10-12H2,1-7H3/b9-8-/t13-/m1/s1
InChIKeyMOYRXRUJBATLSA-LJTDUEICSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.72
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-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide?
The IUPAC name of (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide (CID 146352741) is (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide.
What is the SMILES notation for (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide?
The canonical SMILES for (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide is C[C@@H](NS(=O)(=O)CC/C=C\CC(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide?
The InChIKey is MOYRXRUJBATLSA-LJTDUEICSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-13(15(5,6)7)16-19(17,18)12-10-8-9-11-14(2,3)4/h8-9,13,16H,10-12H2,1-7H3/b9-8-/t13-/m1/s1.
What are the key properties of (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide?
(Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide has a molecular weight of 289.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R)-3,3-dimethylbutan-2-yl]-6,6-dimethylhept-3-ene-1-sulfonamide is sourced from PubChem (CID 146352741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).