N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide

C15H25N3OS — CID 115739845

IUPACN-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C15H25N3OS/c1-15(2,20-3)11-17-14(19)13-5-4-10-18(13)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyYHORZABVYWATMZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.28
Rot. Bonds5

About N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 115739845) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID115739845
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C15H25N3OS/c1-15(2,20-3)11-17-14(19)13-5-4-10-18(13)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyYHORZABVYWATMZ-UHFFFAOYSA-N
XLogP2.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715939
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 115739845) is N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide is CSC(C)(C)CNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is YHORZABVYWATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,20-3)11-17-14(19)13-5-4-10-18(13)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115739845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).