2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide

C12H24N2O2S — CID 114232694

IUPAC2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CC(C)CCC1N
InChIInChI=1S/C12H24N2O2S/c1-3-6-14-12(15)8-17(16)11-7-9(2)4-5-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAVHYJFHTLQUMBQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.78
Rot. Bonds5

About 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide

2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide (PubChem CID 114232694) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide
PubChem CID114232694
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CC(C)CCC1N
InChIInChI=1S/C12H24N2O2S/c1-3-6-14-12(15)8-17(16)11-7-9(2)4-5-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAVHYJFHTLQUMBQ-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

2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide
CID 114233410
2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
CID 114232712
N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide
CID 114232790
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542
3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 55116667
2-(4-amino-3-methylpiperidin-1-yl)-N-propylacetamide;hydrochloride
CID 119925069
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
3-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
CID 63177883
3-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119745932

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide?
The IUPAC name of 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide (CID 114232694) is 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide?
The canonical SMILES for 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide?
The InChIKey is AVHYJFHTLQUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-6-14-12(15)8-17(16)11-7-9(2)4-5-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide?
2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide 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-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide is sourced from PubChem (CID 114232694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).