3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine

C15H25NO2S — CID 54905763

IUPAC3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-14-7-9-15(10-8-14)13(2)16-11-5-12-19(3,17)18/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyIQBPOWOGDDZGHH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.72
Rot. Bonds8

About 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine

3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 54905763) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID54905763
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-14-7-9-15(10-8-14)13(2)16-11-5-12-19(3,17)18/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyIQBPOWOGDDZGHH-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
N,N-dimethyl-4-[1-(3-methylsulfonylpropylamino)ethyl]aniline
CID 54904902
N-[3-[1-(4-butylphenyl)ethylamino]propyl]methanesulfonamide
CID 103776555
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81372354

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine (CID 54905763) is 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine is CCCc1ccc(C(C)NCCCS(C)(=O)=O)cc1.
What is the InChIKey of 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is IQBPOWOGDDZGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-6-14-7-9-15(10-8-14)13(2)16-11-5-12-19(3,17)18/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 54905763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).