N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C14H23N3O3S2 — CID 124885278

IUPACN-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-3-22(19,20)10-11(2)16-14(18)17-7-4-12(5-8-17)13-15-6-9-21-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyVPXCHEWWBQZVGS-NSHDSACASA-N
MW345.49 g/mol
LogP1.86
Rot. Bonds5

About N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 124885278) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID124885278
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-3-22(19,20)10-11(2)16-14(18)17-7-4-12(5-8-17)13-15-6-9-21-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyVPXCHEWWBQZVGS-NSHDSACASA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-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-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154848093
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 124885278) is N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is VPXCHEWWBQZVGS-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-3-22(19,20)10-11(2)16-14(18)17-7-4-12(5-8-17)13-15-6-9-21-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124885278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).