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

C8H19N3O2S — CID 114960837

IUPAC3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C8H19N3O2S/c1-7-3-4-11(6-8(7)5-9)14(12,13)10-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFZZSHVIVDSNZPK-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.63
Rot. Bonds3

About 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide

3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 114960837) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID114960837
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C8H19N3O2S/c1-7-3-4-11(6-8(7)5-9)14(12,13)10-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFZZSHVIVDSNZPK-UHFFFAOYSA-N
XLogP-0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960821
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960902
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylbenzonitrile
CID 114960916
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-4-chlorobenzonitrile
CID 114960756

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide (CID 114960837) is 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(C)C(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is FZZSHVIVDSNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7-3-4-11(6-8(7)5-9)14(12,13)10-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide?
3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 114960837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).