3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide

C15H28N2O3S2 — CID 86931217

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(CC2CCCO2)C2CCSC2)C1
InChIInChI=1S/C15H28N2O3S2/c1-13-4-2-7-16(10-13)22(18,19)17(14-6-9-21-12-14)11-15-5-3-8-20-15/h13-15H,2-12H2,1H3
InChIKeyILOIULSXQZTOCM-UHFFFAOYSA-N
MW348.53 g/mol
LogP1.95
Rot. Bonds5

About 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide

3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide (PubChem CID 86931217) has the molecular formula C15H28N2O3S2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
PubChem CID86931217
Molecular FormulaC15H28N2O3S2
Molecular Weight348.53 g/mol
Exact Mass348.15
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(CC2CCCO2)C2CCSC2)C1
InChIInChI=1S/C15H28N2O3S2/c1-13-4-2-7-16(10-13)22(18,19)17(14-6-9-21-12-14)11-15-5-3-8-20-15/h13-15H,2-12H2,1H3
InChIKeyILOIULSXQZTOCM-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide (CID 86931217) is 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(CC2CCCO2)C2CCSC2)C1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is ILOIULSXQZTOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S2/c1-13-4-2-7-16(10-13)22(18,19)17(14-6-9-21-12-14)11-15-5-3-8-20-15/h13-15H,2-12H2,1H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 348.53 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 86931217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).