2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide

C10H23N3O2S — CID 114810844

IUPAC2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)C1CN
InChIInChI=1S/C10H23N3O2S/c1-3-6-12-16(14,15)13-7-4-5-9(2)10(13)8-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyWOWXINCVVFUANY-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide

2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 114810844) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID114810844
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)C1CN
InChIInChI=1S/C10H23N3O2S/c1-3-6-12-16(14,15)13-7-4-5-9(2)10(13)8-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyWOWXINCVVFUANY-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 102783794
[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
2-cyano-N-propylpyrrolidine-1-sulfonamide
CID 114807904
2-(aminomethyl)-N-cyclopropyl-3-methylpyrrolidine-1-sulfonamide
CID 102783832
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide (CID 114810844) is 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCC(C)C1CN.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is WOWXINCVVFUANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-6-12-16(14,15)13-7-4-5-9(2)10(13)8-11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide?
2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 114810844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).