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

C12H26N2OS — CID 165054872

IUPAC(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane
SMILESCN[C@@H](CSC)C(=O)NC1CCCCC1.[2H]C
InChIInChI=1S/C11H22N2OS.CH4/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);1H4/t10-;/m0./s1/i;1D
InChIKeyQGAWNBZGISDLRR-MPJFZFKHSA-N
MW247.43 g/mol
LogP2.02
Rot. Bonds5

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

(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane (PubChem CID 165054872) has the molecular formula C12H26N2OS and a molecular weight of 247.43 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane
PubChem CID165054872
Molecular FormulaC12H26N2OS
Molecular Weight247.43 g/mol
Exact Mass247.18
IUPAC Name(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane
SMILESCN[C@@H](CSC)C(=O)NC1CCCCC1.[2H]C
InChIInChI=1S/C11H22N2OS.CH4/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);1H4/t10-;/m0./s1/i;1D
InChIKeyQGAWNBZGISDLRR-MPJFZFKHSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 52.02
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;deuteriomethane?
The IUPAC name of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane (CID 165054872) is (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane?
The canonical SMILES for (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane is CN[C@@H](CSC)C(=O)NC1CCCCC1.[2H]C.
What is the InChIKey of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane?
The InChIKey is QGAWNBZGISDLRR-MPJFZFKHSA-N. The full InChI is InChI=1S/C11H22N2OS.CH4/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);1H4/t10-;/m0./s1/i;1D.
What are the key properties of (2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane?
(2R)-N-cyclohexyl-2-(methylamino)-3-methylsulfanylpropanamide;deuteriomethane has a molecular weight of 247.43 g/mol, XLogP of 2.02, 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;deuteriomethane is sourced from PubChem (CID 165054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).