(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide

C20H30N2O6S2 — CID 25480352

IUPAC(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O6S2/c1-3-11-22(17-10-13-29(24,25)15-17)20(23)16-5-4-12-21(14-16)30(26,27)19-8-6-18(28-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyXVFPSTJJYWEORJ-SJORKVTESA-N
MW458.60 g/mol
LogP1.52
Rot. Bonds7

About (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide (PubChem CID 25480352) has the molecular formula C20H30N2O6S2 and a molecular weight of 458.60 g/mol. Its IUPAC name is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
PubChem CID25480352
Molecular FormulaC20H30N2O6S2
Molecular Weight458.60 g/mol
Exact Mass458.15
IUPAC Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O6S2/c1-3-11-22(17-10-13-29(24,25)15-17)20(23)16-5-4-12-21(14-16)30(26,27)19-8-6-18(28-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyXVFPSTJJYWEORJ-SJORKVTESA-N
XLogP1.52
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide with MolForge

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Related Compounds

N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 26707908
N-(2-cyanoethyl)-1-(4-methoxyphenyl)sulfonyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 56572695
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
CID 3883409
5-(azepan-1-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-propylbenzamide
CID 24978947
(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide (CID 25480352) is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide is CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The InChIKey is XVFPSTJJYWEORJ-SJORKVTESA-N. The full InChI is InChI=1S/C20H30N2O6S2/c1-3-11-22(17-10-13-29(24,25)15-17)20(23)16-5-4-12-21(14-16)30(26,27)19-8-6-18(28-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 25480352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).