N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C14H23N3O3S2 — CID 95201536

IUPACN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)12-9-21-14(16-12)13(18)15-7-11-5-4-6-17(8-11)22(3,19)20/h9-11H,4-8H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyZZHIVXKJEZPIFN-LLVKDONJSA-N
MW345.49 g/mol
LogP1.67
Rot. Bonds5

About N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 95201536) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID95201536
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H23N3O3S2/c1-10(2)12-9-21-14(16-12)13(18)15-7-11-5-4-6-17(8-11)22(3,19)20/h9-11H,4-8H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyZZHIVXKJEZPIFN-LLVKDONJSA-N
XLogP1.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-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

1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide
CID 70787928
1-[2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
CID 71868987
1-acetyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-3-piperidinecarboxamide
CID 72838132
N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 53149456
N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149577
N-{2-[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]ethyl}-2-methylpropanamide
CID 53149603
N-(2-{2-[1-(2-Methylpropanoyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841700
N-{2-[2-(1-Butanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841701
N-{2-[2-(1-Propanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841702
N-(2-{2-[1-(3-Methylbutanoyl)piperidin-3-YL]-13-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841728
N-(2-{2-[1-(2,2-dimethylbutanoyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 71841826
N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 53149478

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 95201536) is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is ZZHIVXKJEZPIFN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-10(2)12-9-21-14(16-12)13(18)15-7-11-5-4-6-17(8-11)22(3,19)20/h9-11H,4-8H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 95201536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).