(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide

C11H22N2OS — CID 126752570

IUPAC(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide
SMILESCN[C@@H](CSC)C(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-12-10(8-15-2)11(14)13-9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyOTFHDAGMOQSDNI-JTQLQIEISA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds5

About (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide

(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide (PubChem CID 126752570) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide
PubChem CID126752570
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide
SMILESCN[C@@H](CSC)C(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-12-10(8-15-2)11(14)13-9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyOTFHDAGMOQSDNI-JTQLQIEISA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide (CID 126752570) is (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide is CN[C@@H](CSC)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide?
The InChIKey is OTFHDAGMOQSDNI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2OS/c1-12-10(8-15-2)11(14)13-9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide?
(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide is sourced from PubChem (CID 126752570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).