2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide

C12H24N2O2S — CID 114233410

IUPAC2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCCCC1CN
InChIInChI=1S/C12H24N2O2S/c1-2-7-14-12(15)9-17(16)11-6-4-3-5-10(11)8-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQXBROHNVQCEEIZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide

2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide (PubChem CID 114233410) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide
PubChem CID114233410
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCCCC1CN
InChIInChI=1S/C12H24N2O2S/c1-2-7-14-12(15)9-17(16)11-6-4-3-5-10(11)8-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQXBROHNVQCEEIZ-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide?
The IUPAC name of 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide (CID 114233410) is 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)C1CCCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide?
The InChIKey is QXBROHNVQCEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-7-14-12(15)9-17(16)11-6-4-3-5-10(11)8-13/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide?
2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide has a molecular weight of 260.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide is sourced from PubChem (CID 114233410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).