1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide

C16H28N2O4S2 — CID 55613299

IUPAC1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N(CC2CCCO2)C2CCSC2)C1
InChIInChI=1S/C16H28N2O4S2/c1-24(20,21)17-7-2-4-13(10-17)16(19)18(14-6-9-23-12-14)11-15-5-3-8-22-15/h13-15H,2-12H2,1H3
InChIKeyJYBFJMRSRZMAJE-UHFFFAOYSA-N
MW376.54 g/mol
LogP1.17
Rot. Bonds5

About 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide

1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide (PubChem CID 55613299) has the molecular formula C16H28N2O4S2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
PubChem CID55613299
Molecular FormulaC16H28N2O4S2
Molecular Weight376.54 g/mol
Exact Mass376.15
IUPAC Name1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N(CC2CCCO2)C2CCSC2)C1
InChIInChI=1S/C16H28N2O4S2/c1-24(20,21)17-7-2-4-13(10-17)16(19)18(14-6-9-23-12-14)11-15-5-3-8-22-15/h13-15H,2-12H2,1H3
InChIKeyJYBFJMRSRZMAJE-UHFFFAOYSA-N
XLogP1.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 55613338
N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
CID 95764870
3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
CID 86931217
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
CID 78860890
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
CID 62638054
1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858102
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 55873147
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide (CID 55613299) is 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)N(CC2CCCO2)C2CCSC2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide?
The InChIKey is JYBFJMRSRZMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S2/c1-24(20,21)17-7-2-4-13(10-17)16(19)18(14-6-9-23-12-14)11-15-5-3-8-22-15/h13-15H,2-12H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide has a molecular weight of 376.54 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).