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

C15H31NOS — CID 58264023

IUPACN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide
SMILESCCN(CC(C)(C)C)C(=O)CCSCC(C)(C)C
InChIInChI=1S/C15H31NOS/c1-8-16(11-14(2,3)4)13(17)9-10-18-12-15(5,6)7/h8-12H2,1-7H3
InChIKeyQBCGJNIZDHWZRZ-UHFFFAOYSA-N
MW273.49 g/mol
LogP4.05
Rot. Bonds6

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

N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide (PubChem CID 58264023) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide
PubChem CID58264023
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide
SMILESCCN(CC(C)(C)C)C(=O)CCSCC(C)(C)C
InChIInChI=1S/C15H31NOS/c1-8-16(11-14(2,3)4)13(17)9-10-18-12-15(5,6)7/h8-12H2,1-7H3
InChIKeyQBCGJNIZDHWZRZ-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 54.05
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-ethylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide (CID 58264023) is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide is CCN(CC(C)(C)C)C(=O)CCSCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide?
The InChIKey is QBCGJNIZDHWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-8-16(11-14(2,3)4)13(17)9-10-18-12-15(5,6)7/h8-12H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide?
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-N-ethylpropanamide has a molecular weight of 273.49 g/mol, XLogP of 4.05, 6 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-ethylpropanamide is sourced from PubChem (CID 58264023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).