[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine

C13H20N2O2S — CID 106919216

IUPAC[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCC(C)C2)ccc1CN
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-15(9-10)18(16,17)13-4-3-12(8-14)11(2)7-13/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyRZFMNTRTEXIHLU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.48
Rot. Bonds3

About [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine

[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 106919216) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
PubChem CID106919216
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCC(C)C2)ccc1CN
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-15(9-10)18(16,17)13-4-3-12(8-14)11(2)7-13/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyRZFMNTRTEXIHLU-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81435857
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
3-[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]prop-2-enoic acid
CID 76907921
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine (CID 106919216) is [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine is Cc1cc(S(=O)(=O)N2CCC(C)C2)ccc1CN.
What is the InChIKey of [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is RZFMNTRTEXIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-6-15(9-10)18(16,17)13-4-3-12(8-14)11(2)7-13/h3-4,7,10H,5-6,8-9,14H2,1-2H3.
What are the key properties of [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 106919216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).