1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine

C16H26N2O2S — CID 63852987

IUPAC1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC(C(C)N)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(12-18)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3
InChIKeyKKVWNUNUWNTCRZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds5

About 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine

1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine (PubChem CID 63852987) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
PubChem CID63852987
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC(C(C)N)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(12-18)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3
InChIKeyKKVWNUNUWNTCRZ-UHFFFAOYSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074
3-(2-chloroethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 63390486
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
[3-(1-aminoethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone;hydrochloride
CID 119595549
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
3-(2-bromoethyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 114800733
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
CID 62585382
(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine (CID 63852987) is 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine is CCCS(=O)(=O)c1ccccc1N1CCCC(C(C)N)C1.
What is the InChIKey of 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine?
The InChIKey is KKVWNUNUWNTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(12-18)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine?
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63852987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).