N-(2-methylpropyl)-3-methylsulfinylpropanamide

C8H17NO2S — CID 172514684

IUPACN-(2-methylpropyl)-3-methylsulfinylpropanamide
SMILESCC(C)CNC(=O)CCS(C)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)6-9-8(10)4-5-12(3)11/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyMYUKCGVZBWQGMW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.53
Rot. Bonds5

About N-(2-methylpropyl)-3-methylsulfinylpropanamide

N-(2-methylpropyl)-3-methylsulfinylpropanamide (PubChem CID 172514684) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-methylsulfinylpropanamide
PubChem CID172514684
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-methylpropyl)-3-methylsulfinylpropanamide
SMILESCC(C)CNC(=O)CCS(C)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)6-9-8(10)4-5-12(3)11/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyMYUKCGVZBWQGMW-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-methylsulfinylpropanamide?
The IUPAC name of N-(2-methylpropyl)-3-methylsulfinylpropanamide (CID 172514684) is N-(2-methylpropyl)-3-methylsulfinylpropanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-methylsulfinylpropanamide?
The canonical SMILES for N-(2-methylpropyl)-3-methylsulfinylpropanamide is CC(C)CNC(=O)CCS(C)=O.
What is the InChIKey of N-(2-methylpropyl)-3-methylsulfinylpropanamide?
The InChIKey is MYUKCGVZBWQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)6-9-8(10)4-5-12(3)11/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methylpropyl)-3-methylsulfinylpropanamide?
N-(2-methylpropyl)-3-methylsulfinylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-methylsulfinylpropanamide is sourced from PubChem (CID 172514684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).