1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride

C12H20ClNO2S — CID 162344236

IUPAC1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-3-4-5-12(13)10-6-8-11(9-7-10)16(2,14)15;/h6-9,12H,3-5,13H2,1-2H3;1H
InChIKeyWMUQXOFHCJEOJI-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride

1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride (PubChem CID 162344236) has the molecular formula C12H20ClNO2S and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
PubChem CID162344236
Molecular FormulaC12H20ClNO2S
Molecular Weight277.82 g/mol
Exact Mass277.09
IUPAC Name1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H19NO2S.ClH/c1-3-4-5-12(13)10-6-8-11(9-7-10)16(2,14)15;/h6-9,12H,3-5,13H2,1-2H3;1H
InChIKeyWMUQXOFHCJEOJI-UHFFFAOYSA-N
XLogP2.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonylphenyl)hexan-1-amine
CID 115837394
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171217913
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217912
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198393
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride (CID 162344236) is 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride is CCCCC(N)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is WMUQXOFHCJEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S.ClH/c1-3-4-5-12(13)10-6-8-11(9-7-10)16(2,14)15;/h6-9,12H,3-5,13H2,1-2H3;1H.
What are the key properties of 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride?
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 162344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).