1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

C15H28N2O2S2 — CID 138580400

IUPAC1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSCCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2S2/c1-15(2,3)21-11-13(18)17-8-5-12(6-9-17)14(19)16-7-10-20-4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRHNTWICASXTQJU-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (PubChem CID 138580400) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
PubChem CID138580400
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSCCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2S2/c1-15(2,3)21-11-13(18)17-8-5-12(6-9-17)14(19)16-7-10-20-4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRHNTWICASXTQJU-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
CID 155289205
1-{2-[(Diethylamino)thioxomethylthio]acetyl}piperidine-4-carboxamide
CID 1863658
1-(2-(cyclopentylthio)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676883
1-N,1-N-diethyl-4-N-(2-sulfanylethyl)piperidine-1,4-dicarboxamide
CID 177680288
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
1-[(2R)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151220
1-[(2S)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151221
1-[2-(Trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 42959357
1-acetyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 47042761
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
(2R)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933849

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (CID 138580400) is 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is CSCCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The InChIKey is RHNTWICASXTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-15(2,3)21-11-13(18)17-8-5-12(6-9-17)14(19)16-7-10-20-4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide has a molecular weight of 332.54 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylacetyl)-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 138580400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).