N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

C16H26N2O2S — CID 81296653

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cc(C)cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H26N2O2S/c1-12-9-13(2)11-15(10-12)14(3)17-16-5-7-18(8-6-16)21(4,19)20/h9-11,14,16-17H,5-8H2,1-4H3
InChIKeyRTVLSNGIPQKPEY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 81296653) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID81296653
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cc(C)cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H26N2O2S/c1-12-9-13(2)11-15(10-12)14(3)17-16-5-7-18(8-6-16)21(4,19)20/h9-11,14,16-17H,5-8H2,1-4H3
InChIKeyRTVLSNGIPQKPEY-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628813
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
(4S,5R)-5-methyl-1-methylsulfonyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 169045175
1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43778771
ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
CID 144986439
N-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 118313294
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 81296653) is N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is Cc1cc(C)cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is RTVLSNGIPQKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-9-13(2)11-15(10-12)14(3)17-16-5-7-18(8-6-16)21(4,19)20/h9-11,14,16-17H,5-8H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 310.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 81296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).