1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine

C16H26N2O2S — CID 61170390

IUPAC1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCCN(CC)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-12-21(19,20)16-9-7-14(8-10-16)17-15-6-5-11-18(4-2)13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyOHHFZTFKAMFTJP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.77
Rot. Bonds6

About 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine

1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (PubChem CID 61170390) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
PubChem CID61170390
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCCN(CC)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-12-21(19,20)16-9-7-14(8-10-16)17-15-6-5-11-18(4-2)13-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyOHHFZTFKAMFTJP-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (CID 61170390) is 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is CCCS(=O)(=O)c1ccc(NC2CCCN(CC)C2)cc1.
What is the InChIKey of 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The InChIKey is OHHFZTFKAMFTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-12-21(19,20)16-9-7-14(8-10-16)17-15-6-5-11-18(4-2)13-15/h7-10,15,17H,3-6,11-13H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine has a molecular weight of 310.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is sourced from PubChem (CID 61170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).