3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide

C13H28N4O2S — CID 106017835

IUPAC3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NC2CCCN(C)C2)C1
InChIInChI=1S/C13H28N4O2S/c1-14-9-12-5-3-8-17(10-12)20(18,19)15-13-6-4-7-16(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeyYOFUFTFTPRGVFK-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.15
Rot. Bonds5

About 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide (PubChem CID 106017835) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
PubChem CID106017835
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NC2CCCN(C)C2)C1
InChIInChI=1S/C13H28N4O2S/c1-14-9-12-5-3-8-17(10-12)20(18,19)15-13-6-4-7-16(2)11-13/h12-15H,3-11H2,1-2H3
InChIKeyYOFUFTFTPRGVFK-UHFFFAOYSA-N
XLogP-0.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106067908
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N-cyclopentyl-3-(ethoxymethyl)piperidine-1-sulfonamide
CID 110610368
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide (CID 106017835) is 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NC2CCCN(C)C2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide?
The InChIKey is YOFUFTFTPRGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-14-9-12-5-3-8-17(10-12)20(18,19)15-13-6-4-7-16(2)11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106017835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).