N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide

C14H24N2O2S — CID 45170071

IUPACN-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide
SMILESCSCC(=O)N1CCCC(CCC(=O)NC2CC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-10-14(18)16-8-2-3-11(9-16)4-7-13(17)15-12-5-6-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyOENHXSIPTNIKBD-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide

N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide (PubChem CID 45170071) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide
PubChem CID45170071
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide
SMILESCSCC(=O)N1CCCC(CCC(=O)NC2CC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-10-14(18)16-8-2-3-11(9-16)4-7-13(17)15-12-5-6-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyOENHXSIPTNIKBD-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide (CID 45170071) is N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide is CSCC(=O)N1CCCC(CCC(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide?
The InChIKey is OENHXSIPTNIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-19-10-14(18)16-8-2-3-11(9-16)4-7-13(17)15-12-5-6-12/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide?
N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide has a molecular weight of 284.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45170071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).