N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C16H26N4O2S — CID 95623720

IUPACN-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)[S@](=O)CCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)23(22)11-8-19-15(21)13-4-9-20(10-5-13)14-12-17-6-7-18-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)/t23-/m1/s1
InChIKeyZKCZDYYFDCJIOZ-HSZRJFAPSA-N
MW338.48 g/mol
LogP1.36
Rot. Bonds5

About N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 95623720) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID95623720
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)[S@](=O)CCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)23(22)11-8-19-15(21)13-4-9-20(10-5-13)14-12-17-6-7-18-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)/t23-/m1/s1
InChIKeyZKCZDYYFDCJIOZ-HSZRJFAPSA-N
XLogP1.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 86925418
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 95623720) is N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(C)(C)[S@](=O)CCNC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZKCZDYYFDCJIOZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-16(2,3)23(22)11-8-19-15(21)13-4-9-20(10-5-13)14-12-17-6-7-18-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,21)/t23-/m1/s1.
What are the key properties of N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 95623720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).