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

C11H23N3O3S — CID 82745526

IUPAC2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H23N3O3S/c1-13(11-5-7-17-9-11)18(15,16)14-6-3-2-4-10(14)8-12/h10-11H,2-9,12H2,1H3
InChIKeyHQBNZABNLUWEIU-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.23
Rot. Bonds4

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

2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide (PubChem CID 82745526) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
PubChem CID82745526
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H23N3O3S/c1-13(11-5-7-17-9-11)18(15,16)14-6-3-2-4-10(14)8-12/h10-11H,2-9,12H2,1H3
InChIKeyHQBNZABNLUWEIU-UHFFFAOYSA-N
XLogP-0.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide (CID 82745526) is 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide is CN(C1CCOC1)S(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is HQBNZABNLUWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-13(11-5-7-17-9-11)18(15,16)14-6-3-2-4-10(14)8-12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 82745526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).