(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide

C16H29NO2S — CID 102560550

IUPAC(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide
SMILESCC1(C)CCCC/C1=C/C(=O)NCCS(=O)C(C)(C)C
InChIInChI=1S/C16H29NO2S/c1-15(2,3)20(19)11-10-17-14(18)12-13-8-6-7-9-16(13,4)5/h12H,6-11H2,1-5H3,(H,17,18)/b13-12-
InChIKeySVOISFINFQCBQU-SEYXRHQNSA-N
MW299.48 g/mol
LogP3.18
Rot. Bonds4

About (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide

(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide (PubChem CID 102560550) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide
PubChem CID102560550
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide
SMILESCC1(C)CCCC/C1=C/C(=O)NCCS(=O)C(C)(C)C
InChIInChI=1S/C16H29NO2S/c1-15(2,3)20(19)11-10-17-14(18)12-13-8-6-7-9-16(13,4)5/h12H,6-11H2,1-5H3,(H,17,18)/b13-12-
InChIKeySVOISFINFQCBQU-SEYXRHQNSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide?
The IUPAC name of (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide (CID 102560550) is (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide.
What is the SMILES notation for (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide?
The canonical SMILES for (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide is CC1(C)CCCC/C1=C/C(=O)NCCS(=O)C(C)(C)C.
What is the InChIKey of (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide?
The InChIKey is SVOISFINFQCBQU-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-15(2,3)20(19)11-10-17-14(18)12-13-8-6-7-9-16(13,4)5/h12H,6-11H2,1-5H3,(H,17,18)/b13-12-.
What are the key properties of (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide?
(2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide has a molecular weight of 299.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-tert-butylsulfinylethyl)-2-(2,2-dimethylcyclohexylidene)acetamide is sourced from PubChem (CID 102560550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).