[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine

C16H26N2O2S — CID 103441467

IUPAC[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)C(CN)C1
InChIInChI=1S/C16H26N2O2S/c1-12(2)14-4-6-16(7-5-14)21(19,20)18-9-8-13(3)10-15(18)11-17/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyMQXNGDRWENNJER-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.56
Rot. Bonds4

About [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine

[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 103441467) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID103441467
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)C(CN)C1
InChIInChI=1S/C16H26N2O2S/c1-12(2)14-4-6-16(7-5-14)21(19,20)18-9-8-13(3)10-15(18)11-17/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyMQXNGDRWENNJER-UHFFFAOYSA-N
XLogP2.56
TPSA63.40 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
[1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 107650207
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 103441561
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103352699
[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441489
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine
CID 103441502
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 103441437
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
CID 103441395

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine (CID 103441467) is [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is MQXNGDRWENNJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)14-4-6-16(7-5-14)21(19,20)18-9-8-13(3)10-15(18)11-17/h4-7,12-13,15H,8-11,17H2,1-3H3.
What are the key properties of [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine?
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).