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

C13H27N3O3S — CID 82745398

IUPAC2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-10-12-6-4-5-8-16(12)20(17,18)15(2)13-7-9-19-11-13/h12-14H,3-11H2,1-2H3
InChIKeyKKOFEEAOBICJAW-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.42
Rot. Bonds6

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

2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide (PubChem CID 82745398) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
PubChem CID82745398
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C13H27N3O3S/c1-3-14-10-12-6-4-5-8-16(12)20(17,18)15(2)13-7-9-19-11-13/h12-14H,3-11H2,1-2H3
InChIKeyKKOFEEAOBICJAW-UHFFFAOYSA-N
XLogP0.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide (CID 82745398) is 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is KKOFEEAOBICJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-3-14-10-12-6-4-5-8-16(12)20(17,18)15(2)13-7-9-19-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 82745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).