N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide

C13H24N2O2S — CID 114232790

IUPACN-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide
SMILESCNC1CCC(C)CC1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C13H24N2O2S/c1-9-3-6-11(14-2)12(7-9)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRWDZRHHVAKMXHZ-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.79
Rot. Bonds5

About N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide

N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide (PubChem CID 114232790) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide
PubChem CID114232790
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide
SMILESCNC1CCC(C)CC1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C13H24N2O2S/c1-9-3-6-11(14-2)12(7-9)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRWDZRHHVAKMXHZ-UHFFFAOYSA-N
XLogP0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide?
The IUPAC name of N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide (CID 114232790) is N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide?
The canonical SMILES for N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide is CNC1CCC(C)CC1S(=O)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide?
The InChIKey is RWDZRHHVAKMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-9-3-6-11(14-2)12(7-9)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide?
N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide has a molecular weight of 272.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide is sourced from PubChem (CID 114232790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).