2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone

C19H29N3O3S2 — CID 10273072

IUPAC2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(N)C(=O)N3CCSC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S2/c1-14(2)15-3-5-17(6-4-15)27(24,25)22-9-7-16(8-10-22)18(20)19(23)21-11-12-26-13-21/h3-6,14,16,18H,7-13,20H2,1-2H3
InChIKeyYZSZBKPANBSCSJ-UHFFFAOYSA-N
MW411.59 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone

2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 10273072) has the molecular formula C19H29N3O3S2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone
PubChem CID10273072
Molecular FormulaC19H29N3O3S2
Molecular Weight411.59 g/mol
Exact Mass411.17
IUPAC Name2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(N)C(=O)N3CCSC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S2/c1-14(2)15-3-5-17(6-4-15)27(24,25)22-9-7-16(8-10-22)18(20)19(23)21-11-12-26-13-21/h3-6,14,16,18H,7-13,20H2,1-2H3
InChIKeyYZSZBKPANBSCSJ-UHFFFAOYSA-N
XLogP2.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone 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

2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone (CID 10273072) is 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone is CC(C)c1ccc(S(=O)(=O)N2CCC(C(N)C(=O)N3CCSC3)CC2)cc1.
What is the InChIKey of 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is YZSZBKPANBSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S2/c1-14(2)15-3-5-17(6-4-15)27(24,25)22-9-7-16(8-10-22)18(20)19(23)21-11-12-26-13-21/h3-6,14,16,18H,7-13,20H2,1-2H3.
What are the key properties of 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone?
2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 411.59 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 10273072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).