3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide

C11H23N3O2S2 — CID 114141669

IUPAC3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1
InChIInChI=1S/C11H23N3O2S2/c12-7-10-3-1-5-14(9-10)18(15,16)13-8-11-4-2-6-17-11/h10-11,13H,1-9,12H2
InChIKeyOWEDBMDYABNPIN-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.39
Rot. Bonds5

About 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 114141669) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID114141669
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCC2CCCS2)C1
InChIInChI=1S/C11H23N3O2S2/c12-7-10-3-1-5-14(9-10)18(15,16)13-8-11-4-2-6-17-11/h10-11,13H,1-9,12H2
InChIKeyOWEDBMDYABNPIN-UHFFFAOYSA-N
XLogP0.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 106071762
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide (CID 114141669) is 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCC2CCCS2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is OWEDBMDYABNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c12-7-10-3-1-5-14(9-10)18(15,16)13-8-11-4-2-6-17-11/h10-11,13H,1-9,12H2.
What are the key properties of 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 293.46 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114141669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).