[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

C15H24N2O2S — CID 106919345

IUPAC[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2C)ccc1CN
InChIInChI=1S/C15H24N2O2S/c1-11-5-4-8-17(13(11)3)20(18,19)15-7-6-14(10-16)12(2)9-15/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyPXFRDZUOMAZXNT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds3

About [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (PubChem CID 106919345) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
PubChem CID106919345
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2C)ccc1CN
InChIInChI=1S/C15H24N2O2S/c1-11-5-4-8-17(13(11)3)20(18,19)15-7-6-14(10-16)12(2)9-15/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyPXFRDZUOMAZXNT-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
CID 81428114
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 82846493
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-iodobenzoic acid
CID 103962466
[3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984901
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (CID 106919345) is [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is Cc1cc(S(=O)(=O)N2CCCC(C)C2C)ccc1CN.
What is the InChIKey of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The InChIKey is PXFRDZUOMAZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-5-4-8-17(13(11)3)20(18,19)15-7-6-14(10-16)12(2)9-15/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3.
What are the key properties of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is sourced from PubChem (CID 106919345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).