4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide

C13H25N3O3S — CID 106092437

IUPAC4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NC2CCOC2C2CC2)CC1
InChIInChI=1S/C13H25N3O3S/c14-9-10-3-6-16(7-4-10)20(17,18)15-12-5-8-19-13(12)11-1-2-11/h10-13,15H,1-9,14H2
InChIKeyNAJFDDWOISAYGP-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.06
Rot. Bonds5

About 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide (PubChem CID 106092437) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
PubChem CID106092437
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NC2CCOC2C2CC2)CC1
InChIInChI=1S/C13H25N3O3S/c14-9-10-3-6-16(7-4-10)20(17,18)15-12-5-8-19-13(12)11-1-2-11/h10-13,15H,1-9,14H2
InChIKeyNAJFDDWOISAYGP-UHFFFAOYSA-N
XLogP0.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide (CID 106092437) is 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)NC2CCOC2C2CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is NAJFDDWOISAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-9-10-3-6-16(7-4-10)20(17,18)15-12-5-8-19-13(12)11-1-2-11/h10-13,15H,1-9,14H2.
What are the key properties of 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106092437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).