(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C18H23N3O3S2 — CID 97275488

IUPAC(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1
InChIInChI=1S/C18H23N3O3S2/c1-2-10-26(23,24)21-9-3-4-15(11-21)18(22)20-16-7-5-14(6-8-16)17-12-25-13-19-17/h5-8,12-13,15H,2-4,9-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyYWINOWXUANIMDF-OAHLLOKOSA-N
MW393.53 g/mol
LogP3.20
Rot. Bonds6

About (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 97275488) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID97275488
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1
InChIInChI=1S/C18H23N3O3S2/c1-2-10-26(23,24)21-9-3-4-15(11-21)18(22)20-16-7-5-14(6-8-16)17-12-25-13-19-17/h5-8,12-13,15H,2-4,9-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyYWINOWXUANIMDF-OAHLLOKOSA-N
XLogP3.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-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-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45211803
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 56507150
1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 162666279
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 97275488) is (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1.
What is the InChIKey of (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is YWINOWXUANIMDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-2-10-26(23,24)21-9-3-4-15(11-21)18(22)20-16-7-5-14(6-8-16)17-12-25-13-19-17/h5-8,12-13,15H,2-4,9-11H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 97275488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).