(4-methylsulfonylphenyl)methanamine;hydrochloride

C8H12ClNO2S — CID 2729269

IUPAC(4-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKeyNRXMOYDZMKXKMJ-UHFFFAOYSA-N
MW221.71 g/mol
LogP0.97
Rot. Bonds2

About (4-methylsulfonylphenyl)methanamine;hydrochloride

(4-methylsulfonylphenyl)methanamine;hydrochloride (PubChem CID 2729269) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)methanamine;hydrochloride
PubChem CID2729269
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name(4-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKeyNRXMOYDZMKXKMJ-UHFFFAOYSA-N
XLogP0.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-methylsulfonylphenyl)methanamine;hydrochloride (CID 2729269) is (4-methylsulfonylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-methylsulfonylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-methylsulfonylphenyl)methanamine;hydrochloride is CS(=O)(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of (4-methylsulfonylphenyl)methanamine;hydrochloride?
The InChIKey is NRXMOYDZMKXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H.
What are the key properties of (4-methylsulfonylphenyl)methanamine;hydrochloride?
(4-methylsulfonylphenyl)methanamine;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 2729269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).