4-(aminomethyl)-4-methylpiperidine-1-sulfonamide

C7H17N3O2S — CID 107160182

IUPAC4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c1-7(6-8)2-4-10(5-3-7)13(9,11)12/h2-6,8H2,1H3,(H2,9,11,12)
InChIKeyCFQULUPVLKPKNE-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.75
Rot. Bonds2

About 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide

4-(aminomethyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 107160182) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
PubChem CID107160182
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O2S/c1-7(6-8)2-4-10(5-3-7)13(9,11)12/h2-6,8H2,1H3,(H2,9,11,12)
InChIKeyCFQULUPVLKPKNE-UHFFFAOYSA-N
XLogP-0.75
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
CID 107160206
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[4-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 107160228
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
[3-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778281
3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide (CID 107160182) is 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide is CC1(CN)CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is CFQULUPVLKPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-7(6-8)2-4-10(5-3-7)13(9,11)12/h2-6,8H2,1H3,(H2,9,11,12).
What are the key properties of 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide?
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 207.30 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107160182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).