N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide

C14H23N3O2S — CID 63249525

IUPACN-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
SMILESCNCC1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-11-12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyDMYKOBYIWSUCER-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.03
Rot. Bonds5

About N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide

N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 63249525) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID63249525
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
SMILESCNCC1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-11-12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyDMYKOBYIWSUCER-UHFFFAOYSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 62664693
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 112624080
N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide (CID 63249525) is N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide is CNCC1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1.
What is the InChIKey of N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is DMYKOBYIWSUCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-11-12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide?
N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 63249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).