4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide

C8H19N3O2S — CID 28706833

IUPAC4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-7,9H2,1-2H3
InChIKeyWBWPLOPHZFHPPQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.54
Rot. Bonds3

About 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide

4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 28706833) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID28706833
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-7,9H2,1-2H3
InChIKeyWBWPLOPHZFHPPQ-UHFFFAOYSA-N
XLogP-0.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 28706833) is 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WBWPLOPHZFHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(2)14(12,13)11-5-3-8(7-9)4-6-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 28706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).