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

C14H23N3O2S — CID 106919400

IUPAC[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCN(C)C(C)C2)ccc1CN
InChIInChI=1S/C14H23N3O2S/c1-11-8-14(5-4-13(11)9-15)20(18,19)17-7-6-16(3)12(2)10-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3
InChIKeyGGIHAUZLUQKVJD-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.78
Rot. Bonds3

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

[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine (PubChem CID 106919400) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
PubChem CID106919400
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCN(C)C(C)C2)ccc1CN
InChIInChI=1S/C14H23N3O2S/c1-11-8-14(5-4-13(11)9-15)20(18,19)17-7-6-16(3)12(2)10-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3
InChIKeyGGIHAUZLUQKVJD-UHFFFAOYSA-N
XLogP0.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
CID 110707659
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
5-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 55215595
[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63619441

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine (CID 106919400) is [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The canonical SMILES for [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine is Cc1cc(S(=O)(=O)N2CCN(C)C(C)C2)ccc1CN.
What is the InChIKey of [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The InChIKey is GGIHAUZLUQKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-8-14(5-4-13(11)9-15)20(18,19)17-7-6-16(3)12(2)10-17/h4-5,8,12H,6-7,9-10,15H2,1-3H3.
What are the key properties of [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine?
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine is sourced from PubChem (CID 106919400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).