N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide

C13H25N3O2S — CID 56874220

IUPACN-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CSC(C)C)CC1
InChIInChI=1S/C13H25N3O2S/c1-4-14-13(18)16-7-5-11(6-8-16)15-12(17)9-19-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyQMRRMRTXYIRHMV-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide

N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide (PubChem CID 56874220) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide
PubChem CID56874220
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CSC(C)C)CC1
InChIInChI=1S/C13H25N3O2S/c1-4-14-13(18)16-7-5-11(6-8-16)15-12(17)9-19-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyQMRRMRTXYIRHMV-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide (CID 56874220) is N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)CSC(C)C)CC1.
What is the InChIKey of N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is QMRRMRTXYIRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-14-13(18)16-7-5-11(6-8-16)15-12(17)9-19-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide?
N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-propan-2-ylsulfanylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 56874220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).