3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide

C12H25N3O2S — CID 114696743

IUPAC3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(C)CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-11-4-3-9-15(10-11)18(16,17)14-12(2)5-7-13-8-6-12/h11,13-14H,3-10H2,1-2H3
InChIKeyGYXGBILPOFGRGO-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds3

About 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide

3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide (PubChem CID 114696743) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
PubChem CID114696743
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(C)CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-11-4-3-9-15(10-11)18(16,17)14-12(2)5-7-13-8-6-12/h11,13-14H,3-10H2,1-2H3
InChIKeyGYXGBILPOFGRGO-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylpiperidine-1-sulfonamide
CID 43597934
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 82763275
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
3-methyl-N-(1-piperidin-2-ylethyl)piperidine-1-sulfonamide
CID 43523514
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide (CID 114696743) is 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2(C)CCNCC2)C1.
What is the InChIKey of 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide?
The InChIKey is GYXGBILPOFGRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-4-3-9-15(10-11)18(16,17)14-12(2)5-7-13-8-6-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide?
3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 114696743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).