N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide

C15H28N2OS — CID 24819265

IUPACN-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
SMILESCSCC(C)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N2OS/c1-12(11-19-2)17-9-7-13(8-10-17)3-6-15(18)16-14-4-5-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyDSZYJQTZELOLAL-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.51
Rot. Bonds7

About N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide (PubChem CID 24819265) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
PubChem CID24819265
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
SMILESCSCC(C)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H28N2OS/c1-12(11-19-2)17-9-7-13(8-10-17)3-6-15(18)16-14-4-5-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyDSZYJQTZELOLAL-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.51
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-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide (CID 24819265) is N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide is CSCC(C)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide?
The InChIKey is DSZYJQTZELOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(11-19-2)17-9-7-13(8-10-17)3-6-15(18)16-14-4-5-14/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide has a molecular weight of 284.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24819265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).