3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide

C12H26N2O2S — CID 112594762

IUPAC3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
SMILESCCC1(CC)CCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-12(4-2)6-9-14(10-7-12)8-5-11-17(13,15)16/h3-11H2,1-2H3,(H2,13,15,16)
InChIKeyQMYSPLRVANGZCK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds6

About 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide

3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide (PubChem CID 112594762) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
PubChem CID112594762
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
SMILESCCC1(CC)CCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-12(4-2)6-9-14(10-7-12)8-5-11-17(13,15)16/h3-11H2,1-2H3,(H2,13,15,16)
InChIKeyQMYSPLRVANGZCK-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
CID 114385516
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
1-(4,4-diethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 63160248
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide (CID 112594762) is 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide is CCC1(CC)CCN(CCCS(N)(=O)=O)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide?
The InChIKey is QMYSPLRVANGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-12(4-2)6-9-14(10-7-12)8-5-11-17(13,15)16/h3-11H2,1-2H3,(H2,13,15,16).
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide?
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 112594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).