[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

C15H24N2O3S — CID 106919652

IUPAC[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCOC1CN(S(=O)(=O)c2ccc(CN)c(C)c2)CCC1C
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-17(10-15(11)20-3)21(18,19)14-5-4-13(9-16)12(2)8-14/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3
InChIKeyQWWPZZCMERMTEB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.50
Rot. Bonds4

About [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (PubChem CID 106919652) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
PubChem CID106919652
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCOC1CN(S(=O)(=O)c2ccc(CN)c(C)c2)CCC1C
InChIInChI=1S/C15H24N2O3S/c1-11-6-7-17(10-15(11)20-3)21(18,19)14-5-4-13(9-16)12(2)8-14/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3
InChIKeyQWWPZZCMERMTEB-UHFFFAOYSA-N
XLogP1.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine 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-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 102955246
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102675663
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 102964531
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The IUPAC name of [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (CID 106919652) is [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The canonical SMILES for [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is COC1CN(S(=O)(=O)c2ccc(CN)c(C)c2)CCC1C.
What is the InChIKey of [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The InChIKey is QWWPZZCMERMTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-6-7-17(10-15(11)20-3)21(18,19)14-5-4-13(9-16)12(2)8-14/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3.
What are the key properties of [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is sourced from PubChem (CID 106919652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).