(2-propylsulfonylphenyl)methanamine;hydrochloride

C10H16ClNO2S — CID 68816477

IUPAC(2-propylsulfonylphenyl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1CN.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11;/h3-6H,2,7-8,11H2,1H3;1H
InChIKeyDQOKUAIHNIAXKR-UHFFFAOYSA-N
MW249.76 g/mol
LogP1.75
Rot. Bonds4

About (2-propylsulfonylphenyl)methanamine;hydrochloride

(2-propylsulfonylphenyl)methanamine;hydrochloride (PubChem CID 68816477) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is (2-propylsulfonylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-propylsulfonylphenyl)methanamine;hydrochloride
PubChem CID68816477
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name(2-propylsulfonylphenyl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1CN.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11;/h3-6H,2,7-8,11H2,1H3;1H
InChIKeyDQOKUAIHNIAXKR-UHFFFAOYSA-N
XLogP1.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727
1-bromo-2-propylsulfonylbenzene
CID 54596100
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63198549
N-ethyl-2-propylsulfonylaniline
CID 43453634
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
2-[2-(2-fluoroethylsulfonyl)phenyl]ethanamine
CID 84694592
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136

Frequently Asked Questions

What is the IUPAC name of (2-propylsulfonylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-propylsulfonylphenyl)methanamine;hydrochloride (CID 68816477) is (2-propylsulfonylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-propylsulfonylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-propylsulfonylphenyl)methanamine;hydrochloride is CCCS(=O)(=O)c1ccccc1CN.Cl.
What is the InChIKey of (2-propylsulfonylphenyl)methanamine;hydrochloride?
The InChIKey is DQOKUAIHNIAXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11;/h3-6H,2,7-8,11H2,1H3;1H.
What are the key properties of (2-propylsulfonylphenyl)methanamine;hydrochloride?
(2-propylsulfonylphenyl)methanamine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfonylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 68816477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).