3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide

C12H25N3O3S — CID 63596397

IUPAC3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
SMILESCC(N)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-10(13)11-2-5-15(6-3-11)7-9-19(17,18)8-4-12(14)16/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyPVMSIANHLUBYDC-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.66
Rot. Bonds7

About 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide

3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide (PubChem CID 63596397) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
PubChem CID63596397
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
SMILESCC(N)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-10(13)11-2-5-15(6-3-11)7-9-19(17,18)8-4-12(14)16/h10-11H,2-9,13H2,1H3,(H2,14,16)
InChIKeyPVMSIANHLUBYDC-UHFFFAOYSA-N
XLogP-0.66
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
3-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide
CID 43011312
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide (CID 63596397) is 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide is CC(N)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1.
What is the InChIKey of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide?
The InChIKey is PVMSIANHLUBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(13)11-2-5-15(6-3-11)7-9-19(17,18)8-4-12(14)16/h10-11H,2-9,13H2,1H3,(H2,14,16).
What are the key properties of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide?
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide has a molecular weight of 291.42 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 63596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).