N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide

C14H29NOS — CID 58263782

IUPACN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide
SMILESCN(CC(C)(C)C)C(=O)CCSCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-13(2,3)10-15(7)12(16)8-9-17-11-14(4,5)6/h8-11H2,1-7H3
InChIKeyJZTUMFBILUPFRC-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.66
Rot. Bonds5

About N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide

N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide (PubChem CID 58263782) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide
PubChem CID58263782
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide
SMILESCN(CC(C)(C)C)C(=O)CCSCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-13(2,3)10-15(7)12(16)8-9-17-11-14(4,5)6/h8-11H2,1-7H3
InChIKeyJZTUMFBILUPFRC-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
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-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide (CID 58263782) is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide is CN(CC(C)(C)C)C(=O)CCSCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide?
The InChIKey is JZTUMFBILUPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-13(2,3)10-15(7)12(16)8-9-17-11-14(4,5)6/h8-11H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide?
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide has a molecular weight of 259.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-methylpropanamide is sourced from PubChem (CID 58263782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).