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

C13H21NO2S — CID 82499664

IUPAC2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
SMILESCC(C)C(N)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-9(2)13(14)11-5-7-12(8-6-11)17(15,16)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyAFJSSCCUDVQUMG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.52
Rot. Bonds4

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

2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine (PubChem CID 82499664) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
PubChem CID82499664
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
SMILESCC(C)C(N)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-9(2)13(14)11-5-7-12(8-6-11)17(15,16)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyAFJSSCCUDVQUMG-UHFFFAOYSA-N
XLogP2.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82497202
2-methyl-3-(4-propan-2-ylsulfonylphenyl)butanethioamide
CID 83927075
3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198079
4-(1-amino-2-methylpropyl)aniline
CID 55283645
(1-aminocyclopropyl)-(4-propan-2-ylsulfonylphenyl)methanol
CID 116836205
1-(4-chlorobutan-2-yl)-4-propan-2-ylsulfonylbenzene
CID 112717748
(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927
2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine
CID 64647047
(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171198410
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
CID 83927137
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine (CID 82499664) is 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine is CC(C)C(N)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
The InChIKey is AFJSSCCUDVQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)13(14)11-5-7-12(8-6-11)17(15,16)10(3)4/h5-10,13H,14H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine?
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 82499664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).