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

C14H29NOS — CID 58263684

IUPACN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide
SMILESCC(CSCC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-11(8-17-10-14(5,6)7)12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyWJBIQENALQISKM-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.56
Rot. Bonds5

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

N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide (PubChem CID 58263684) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide
PubChem CID58263684
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide
SMILESCC(CSCC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-11(8-17-10-14(5,6)7)12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyWJBIQENALQISKM-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide (CID 58263684) is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide is CC(CSCC(C)(C)C)C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide?
The InChIKey is WJBIQENALQISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-11(8-17-10-14(5,6)7)12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide?
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-2-methylpropanamide has a molecular weight of 259.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 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)-2-methylpropanamide is sourced from PubChem (CID 58263684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).