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

C12H24N2O2S — CID 146388971

IUPACN-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(C)S)CC1
InChIInChI=1S/C12H24N2O2S/c1-9(8-16-3)13-12(15)11-4-6-14(7-5-11)10(2)17/h9-11,17H,4-8H2,1-3H3,(H,13,15)
InChIKeyYNDPDNSMZAUTEX-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.13
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide (PubChem CID 146388971) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
PubChem CID146388971
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(C)S)CC1
InChIInChI=1S/C12H24N2O2S/c1-9(8-16-3)13-12(15)11-4-6-14(7-5-11)10(2)17/h9-11,17H,4-8H2,1-3H3,(H,13,15)
InChIKeyYNDPDNSMZAUTEX-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.13
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)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide (CID 146388971) is N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(C(C)S)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The InChIKey is YNDPDNSMZAUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(8-16-3)13-12(15)11-4-6-14(7-5-11)10(2)17/h9-11,17H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-(1-sulfanylethyl)piperidine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.13, 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)-1-(1-sulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146388971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).