1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine

C15H25N3O2S — CID 120714488

IUPAC1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)C1
InChIInChI=1S/C15H25N3O2S/c1-12-7-8-14(10-15(12)17(3)4)21(19,20)18-9-5-6-13(11-18)16-2/h7-8,10,13,16H,5-6,9,11H2,1-4H3
InChIKeyVNEFIVCCQGNOHK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.43
Rot. Bonds4

About 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine

1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120714488) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
PubChem CID120714488
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)C1
InChIInChI=1S/C15H25N3O2S/c1-12-7-8-14(10-15(12)17(3)4)21(19,20)18-9-5-6-13(11-18)16-2/h7-8,10,13,16H,5-6,9,11H2,1-4H3
InChIKeyVNEFIVCCQGNOHK-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 84588500
N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 120715329
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
1-(3-bromo-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 120714823
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine (CID 120714488) is 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)C1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is VNEFIVCCQGNOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-7-8-14(10-15(12)17(3)4)21(19,20)18-9-5-6-13(11-18)16-2/h7-8,10,13,16H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine?
1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120714488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).