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

C13H25N3O3S — CID 106092451

IUPAC3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NC2CCOC2C2CC2)C1
InChIInChI=1S/C13H25N3O3S/c14-8-10-2-1-6-16(9-10)20(17,18)15-12-5-7-19-13(12)11-3-4-11/h10-13,15H,1-9,14H2
InChIKeyVNUNFBWYZACLOT-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.06
Rot. Bonds5

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

3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide (PubChem CID 106092451) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
PubChem CID106092451
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NC2CCOC2C2CC2)C1
InChIInChI=1S/C13H25N3O3S/c14-8-10-2-1-6-16(9-10)20(17,18)15-12-5-7-19-13(12)11-3-4-11/h10-13,15H,1-9,14H2
InChIKeyVNUNFBWYZACLOT-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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Related Compounds

4-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
CID 106092437
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-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
CID 82744611
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide (CID 106092451) is 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NC2CCOC2C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is VNUNFBWYZACLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-8-10-2-1-6-16(9-10)20(17,18)15-12-5-7-19-13(12)11-3-4-11/h10-13,15H,1-9,14H2.
What are the key properties of 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide?
3-(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 3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106092451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).