3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine

C15H24N2O2S — CID 120779763

IUPAC3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine
SMILESCc1ccccc1CS(=O)(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-5-7-13(12)10-20(18,19)17-9-8-14(16)15(2,3)11-17/h4-7,14H,8-11,16H2,1-3H3
InChIKeySXGYULGVJLKEIW-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.88
Rot. Bonds3

About 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine

3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine (PubChem CID 120779763) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine
PubChem CID120779763
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine
SMILESCc1ccccc1CS(=O)(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-5-7-13(12)10-20(18,19)17-9-8-14(16)15(2,3)11-17/h4-7,14H,8-11,16H2,1-3H3
InChIKeySXGYULGVJLKEIW-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-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

2-cyclopropyl-1-[(2-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871847
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120876989
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
4-(1H-imidazol-2-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110725887
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine (CID 120779763) is 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine is Cc1ccccc1CS(=O)(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine?
The InChIKey is SXGYULGVJLKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-4-5-7-13(12)10-20(18,19)17-9-8-14(16)15(2,3)11-17/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine?
3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine is sourced from PubChem (CID 120779763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).