N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide

C8H17NOS — CID 88917610

IUPACN,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)8(10)9(3)5-6-11-4/h7H,5-6H2,1-4H3
InChIKeyZCASTGMCUFGWMH-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.46
Rot. Bonds4

About N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide

N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 88917610) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID88917610
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)8(10)9(3)5-6-11-4/h7H,5-6H2,1-4H3
InChIKeyZCASTGMCUFGWMH-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide (CID 88917610) is N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide is CSCCN(C)C(=O)C(C)C.
What is the InChIKey of N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is ZCASTGMCUFGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)8(10)9(3)5-6-11-4/h7H,5-6H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 175.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 88917610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).