1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

C15H25N3O2S — CID 103171174

IUPAC1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(N(C)C)CC2)c1N
InChIInChI=1S/C15H25N3O2S/c1-11-5-6-12(2)15(14(11)16)21(19,20)18-9-7-13(8-10-18)17(3)4/h5-6,13H,7-10,16H2,1-4H3
InChIKeyCJRZPHDGIXYOJN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 103171174) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID103171174
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(N(C)C)CC2)c1N
InChIInChI=1S/C15H25N3O2S/c1-11-5-6-12(2)15(14(11)16)21(19,20)18-9-7-13(8-10-18)17(3)4/h5-6,13H,7-10,16H2,1-4H3
InChIKeyCJRZPHDGIXYOJN-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 79568579
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
1-(2-amino-3,6-dimethylphenyl)sulfonyl-1,4-diazepan-5-one
CID 103171468
1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355133
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403545
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 103171174) is 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is Cc1ccc(C)c(S(=O)(=O)N2CCC(N(C)C)CC2)c1N.
What is the InChIKey of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is CJRZPHDGIXYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-5-6-12(2)15(14(11)16)21(19,20)18-9-7-13(8-10-18)17(3)4/h5-6,13H,7-10,16H2,1-4H3.
What are the key properties of 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 103171174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).