(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide

C8H17NO2S — CID 22880882

IUPAC(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)CS(C)=O
InChIInChI=1S/C8H17NO2S/c1-4-5-9-8(10)7(2)6-12(3)11/h7H,4-6H2,1-3H3,(H,9,10)/t7-,12?/m1/s1
InChIKeyJOOYAJRPHCQEQM-OJYJAAIMSA-N
MW191.30 g/mol
LogP0.53
Rot. Bonds5

About (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide

(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide (PubChem CID 22880882) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide
PubChem CID22880882
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)CS(C)=O
InChIInChI=1S/C8H17NO2S/c1-4-5-9-8(10)7(2)6-12(3)11/h7H,4-6H2,1-3H3,(H,9,10)/t7-,12?/m1/s1
InChIKeyJOOYAJRPHCQEQM-OJYJAAIMSA-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 (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide?
The IUPAC name of (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide (CID 22880882) is (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide.
What is the SMILES notation for (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide?
The canonical SMILES for (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide is CCCNC(=O)[C@H](C)CS(C)=O.
What is the InChIKey of (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide?
The InChIKey is JOOYAJRPHCQEQM-OJYJAAIMSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-5-9-8(10)7(2)6-12(3)11/h7H,4-6H2,1-3H3,(H,9,10)/t7-,12?/m1/s1.
What are the key properties of (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide?
(2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide 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 (2S)-2-methyl-3-methylsulfinyl-N-propylpropanamide is sourced from PubChem (CID 22880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).