2-(4-propan-2-ylsulfonylphenyl)propan-1-amine

C12H19NO2S — CID 82497202

IUPAC2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
SMILESCC(CN)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)16(14,15)12-6-4-11(5-7-12)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyDBPQDFPFSULPTR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.93
Rot. Bonds4

About 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine

2-(4-propan-2-ylsulfonylphenyl)propan-1-amine (PubChem CID 82497202) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
PubChem CID82497202
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
SMILESCC(CN)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)16(14,15)12-6-4-11(5-7-12)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyDBPQDFPFSULPTR-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobutan-2-yl)-4-propan-2-ylsulfonylbenzene
CID 112717748
2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
CID 83927137
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82499664
2-methyl-3-[2-(4-propan-2-ylsulfonylphenyl)propyl]oxirane
CID 83927122
3-(4-propan-2-ylsulfonylphenyl)butyl thiocyanate
CID 112717744
[4-(1-aminopropan-2-yl)phenyl] methanesulfonate
CID 117330913
2-[4-(2-methylsulfonylpropan-2-yl)phenyl]propan-1-amine
CID 115113205
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
2-methyl-3-(4-propan-2-ylsulfonylphenyl)butanethioamide
CID 83927075
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
(1-aminocyclopropyl)-(4-propan-2-ylsulfonylphenyl)methanol
CID 116836205

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine (CID 82497202) is 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine is CC(CN)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The InChIKey is DBPQDFPFSULPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)16(14,15)12-6-4-11(5-7-12)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
2-(4-propan-2-ylsulfonylphenyl)propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 82497202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).