N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide

C13H26N2O2S — CID 135224948

IUPACN-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CCN(C(C)S)CC1
InChIInChI=1S/C13H26N2O2S/c1-10(9-17-4)14-12(16)13(3)5-7-15(8-6-13)11(2)18/h10-11,18H,5-9H2,1-4H3,(H,14,16)
InChIKeyTYFDLYUCHSYOEM-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.52
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide (PubChem CID 135224948) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide
PubChem CID135224948
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CCN(C(C)S)CC1
InChIInChI=1S/C13H26N2O2S/c1-10(9-17-4)14-12(16)13(3)5-7-15(8-6-13)11(2)18/h10-11,18H,5-9H2,1-4H3,(H,14,16)
InChIKeyTYFDLYUCHSYOEM-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide (CID 135224948) is N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide is COCC(C)NC(=O)C1(C)CCN(C(C)S)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The InChIKey is TYFDLYUCHSYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(9-17-4)14-12(16)13(3)5-7-15(8-6-13)11(2)18/h10-11,18H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methyl-1-(1-sulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 135224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).