1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

C15H25N3O2S — CID 43585667

IUPAC1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-9-13(16)10-15(12(11)2)21(19,20)18-7-5-14(6-8-18)17(3)4/h9-10,14H,5-8,16H2,1-4H3
InChIKeyBXOWRVCGPMOHDG-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.60
Rot. Bonds3

About 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine

1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (PubChem CID 43585667) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
PubChem CID43585667
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N)cc(S(=O)(=O)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-9-13(16)10-15(12(11)2)21(19,20)18-7-5-14(6-8-18)17(3)4/h9-10,14H,5-8,16H2,1-4H3
InChIKeyBXOWRVCGPMOHDG-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
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
3,4-dimethyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419116
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 79897067
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine (CID 43585667) is 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is Cc1cc(N)cc(S(=O)(=O)N2CCC(N(C)C)CC2)c1C.
What is the InChIKey of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
The InChIKey is BXOWRVCGPMOHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-9-13(16)10-15(12(11)2)21(19,20)18-7-5-14(6-8-18)17(3)4/h9-10,14H,5-8,16H2,1-4H3.
What are the key properties of 1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine?
1-(5-amino-2,3-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-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).