2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide

C9H17NOS — CID 130703856

IUPAC2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide
SMILESCSC1CCC1NC(=O)C(C)C
InChIInChI=1S/C9H17NOS/c1-6(2)9(11)10-7-4-5-8(7)12-3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyBQMWOJMAOJHKHT-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide

2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide (PubChem CID 130703856) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide
PubChem CID130703856
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide
SMILESCSC1CCC1NC(=O)C(C)C
InChIInChI=1S/C9H17NOS/c1-6(2)9(11)10-7-4-5-8(7)12-3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyBQMWOJMAOJHKHT-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide (CID 130703856) is 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide is CSC1CCC1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide?
The InChIKey is BQMWOJMAOJHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(2)9(11)10-7-4-5-8(7)12-3/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide?
2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide has a molecular weight of 187.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide is sourced from PubChem (CID 130703856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).