N-methyl-N-(2-methylsulfanylethyl)butanamide

C8H17NOS — CID 112697979

IUPACN-methyl-N-(2-methylsulfanylethyl)butanamide
SMILESCCCC(=O)N(C)CCSC
InChIInChI=1S/C8H17NOS/c1-4-5-8(10)9(2)6-7-11-3/h4-7H2,1-3H3
InChIKeyLGJADIIWOUIKLA-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-N-(2-methylsulfanylethyl)butanamide

N-methyl-N-(2-methylsulfanylethyl)butanamide (PubChem CID 112697979) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)butanamide
PubChem CID112697979
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)butanamide
SMILESCCCC(=O)N(C)CCSC
InChIInChI=1S/C8H17NOS/c1-4-5-8(10)9(2)6-7-11-3/h4-7H2,1-3H3
InChIKeyLGJADIIWOUIKLA-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)butanamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)butanamide (CID 112697979) is N-methyl-N-(2-methylsulfanylethyl)butanamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)butanamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)butanamide is CCCC(=O)N(C)CCSC.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)butanamide?
The InChIKey is LGJADIIWOUIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-5-8(10)9(2)6-7-11-3/h4-7H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)butanamide?
N-methyl-N-(2-methylsulfanylethyl)butanamide has a molecular weight of 175.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)butanamide is sourced from PubChem (CID 112697979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).