4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide

C11H25N3O2S — CID 107160206

IUPAC4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-10(2,3)13-17(15,16)14-7-5-11(4,9-12)6-8-14/h13H,5-9,12H2,1-4H3
InChIKeyGARANQJTMMETLI-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds3

About 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide

4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide (PubChem CID 107160206) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
PubChem CID107160206
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-10(2,3)13-17(15,16)14-7-5-11(4,9-12)6-8-14/h13H,5-9,12H2,1-4H3
InChIKeyGARANQJTMMETLI-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
[4-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 107160228
[1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777233
[3-methyl-1-(2-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777820
[3-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 120777370
[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
N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809610
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide;hydrochloride
CID 120808644
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide (CID 107160206) is 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide is CC1(CN)CCN(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is GARANQJTMMETLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2,3)13-17(15,16)14-7-5-11(4,9-12)6-8-14/h13H,5-9,12H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107160206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).