2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine

C15H25NO2S — CID 106714769

IUPAC2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
SMILESCc1cccc(S(=O)(=O)CCCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO2S/c1-13-7-6-8-14(11-13)19(17,18)10-5-4-9-15(2,3)12-16/h6-8,11H,4-5,9-10,12,16H2,1-3H3
InChIKeyIADVCBPOAMTCAF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.92
Rot. Bonds7

About 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine

2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine (PubChem CID 106714769) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
PubChem CID106714769
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
SMILESCc1cccc(S(=O)(=O)CCCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO2S/c1-13-7-6-8-14(11-13)19(17,18)10-5-4-9-15(2,3)12-16/h6-8,11H,4-5,9-10,12,16H2,1-3H3
InChIKeyIADVCBPOAMTCAF-UHFFFAOYSA-N
XLogP2.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-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

4-(3-bromophenyl)sulfonyl-2,2-dimethylbutan-1-amine
CID 65256667
6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714756
1-(3-chloropropylsulfonyl)-3-methylbenzene
CID 21272204
2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
CID 65263400
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
3-(3-methylphenyl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 64675077
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
2,2-dimethyl-6-[(3-methylphenyl)methylsulfinyl]hexan-1-amine
CID 106714809
1-(2-ethoxyethylsulfonyl)-3-methylbenzene
CID 91509365
1-(2-azidoethylsulfonyl)-3-methylbenzene
CID 55138777

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine (CID 106714769) is 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine is Cc1cccc(S(=O)(=O)CCCCC(C)(C)CN)c1.
What is the InChIKey of 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine?
The InChIKey is IADVCBPOAMTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13-7-6-8-14(11-13)19(17,18)10-5-4-9-15(2,3)12-16/h6-8,11H,4-5,9-10,12,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine?
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine is sourced from PubChem (CID 106714769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).