2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide

C12H24N2O2S — CID 113493513

IUPAC2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CCS(C)=O)NC(=O)C1CCCCC1N
InChIInChI=1S/C12H24N2O2S/c1-9(7-8-17(2)16)14-12(15)10-5-3-4-6-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXYMWLINXERHAQR-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide

2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 113493513) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID113493513
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CCS(C)=O)NC(=O)C1CCCCC1N
InChIInChI=1S/C12H24N2O2S/c1-9(7-8-17(2)16)14-12(15)10-5-3-4-6-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXYMWLINXERHAQR-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarboxylic acid (1-ethanesulfonyl-piperidin-4-yl)-amide
CID 645503
N-[(2R)-1-(methylamino)-3-methylsulfanyl-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 145989285
2-cyclohexyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 3899063
2-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-methylcyclohexyl)acetamide
CID 3841524
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 103809183
N-(1,1-dioxothiolan-3-yl)cyclohexylcarboxamide
CID 2835686
3-[(2-Carbamoylcyclohexyl)amino]propane-1-sulfonic acid
CID 58724644
cis-(1R,2S)-2-amino-N-[(1S)-1-cyano-3-methylsulfinylpropyl]cyclohexane-1-carboxamide
CID 69885394
cis-(1R,2S)-2-amino-N-[(1S)-1-cyano-3-methylsulfonylpropyl]cyclohexane-1-carboxamide
CID 69885415
cis-(1R,2S)-2-amino-N-[(1S)-1-cyano-3-methylsulfanylpropyl]cyclohexane-1-carboxamide
CID 69886139
N-[3-(ethylsulfonylamino)-3-oxopropyl]-4-(propanoylamino)cyclohexane-1-carboxamide
CID 70856561
((1S,2R)-2-((S)-1-cyano-3-methylsulfanyl-propylcarbamoyl)-cyclohexyl]-amide
CID 86759485

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide (CID 113493513) is 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide is CC(CCS(C)=O)NC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XYMWLINXERHAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(7-8-17(2)16)14-12(15)10-5-3-4-6-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide?
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113493513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).