4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide

C15H33N3O2S — CID 79488387

IUPAC4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C15H33N3O2S/c1-5-15(6-2)18(12-13(3)4)21(19,20)17-9-7-14(11-16)8-10-17/h13-15H,5-12,16H2,1-4H3
InChIKeyHBGXGJXBUDAWEG-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.05
Rot. Bonds8

About 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide

4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide (PubChem CID 79488387) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide
PubChem CID79488387
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C15H33N3O2S/c1-5-15(6-2)18(12-13(3)4)21(19,20)17-9-7-14(11-16)8-10-17/h13-15H,5-12,16H2,1-4H3
InChIKeyHBGXGJXBUDAWEG-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide (CID 79488387) is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide?
The InChIKey is HBGXGJXBUDAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-5-15(6-2)18(12-13(3)4)21(19,20)17-9-7-14(11-16)8-10-17/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide has a molecular weight of 319.52 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 79488387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).