(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide

C20H29FN2O5S2 — CID 26707908

IUPAC(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H29FN2O5S2/c1-15(2)12-23(18-9-11-29(25,26)14-18)20(24)16-4-3-10-22(13-16)30(27,28)19-7-5-17(21)6-8-19/h5-8,15-16,18H,3-4,9-14H2,1-2H3/t16-,18+/m1/s1
InChIKeyOKGLNLJLZZKZIX-AEFFLSMTSA-N
MW460.59 g/mol
LogP1.90
Rot. Bonds6

About (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 26707908) has the molecular formula C20H29FN2O5S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID26707908
Molecular FormulaC20H29FN2O5S2
Molecular Weight460.59 g/mol
Exact Mass460.15
IUPAC Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H29FN2O5S2/c1-15(2)12-23(18-9-11-29(25,26)14-18)20(24)16-4-3-10-22(13-16)30(27,28)19-7-5-17(21)6-8-19/h5-8,15-16,18H,3-4,9-14H2,1-2H3/t16-,18+/m1/s1
InChIKeyOKGLNLJLZZKZIX-AEFFLSMTSA-N
XLogP1.90
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)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

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 25480352
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
CID 3883409
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42913629
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 40774867
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylpentanoate
CID 55406804
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 45356009
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (CID 26707908) is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is OKGLNLJLZZKZIX-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29FN2O5S2/c1-15(2)12-23(18-9-11-29(25,26)14-18)20(24)16-4-3-10-22(13-16)30(27,28)19-7-5-17(21)6-8-19/h5-8,15-16,18H,3-4,9-14H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 26707908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).