N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide

C11H23NOS — CID 2805079

IUPACN-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)SCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-10(2,3)9(13)12-7-8-14-11(4,5)6/h7-8H2,1-6H3,(H,12,13)
InChIKeyDHFZHJQCLQJJAX-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.68
Rot. Bonds3

About N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide

N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide (PubChem CID 2805079) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
PubChem CID2805079
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)SCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-10(2,3)9(13)12-7-8-14-11(4,5)6/h7-8H2,1-6H3,(H,12,13)
InChIKeyDHFZHJQCLQJJAX-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide (CID 2805079) is N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide is CC(C)(C)SCCNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide?
The InChIKey is DHFZHJQCLQJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2,3)9(13)12-7-8-14-11(4,5)6/h7-8H2,1-6H3,(H,12,13).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide?
N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide has a molecular weight of 217.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2805079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).