N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide

C12H23N3O3S — CID 64610162

IUPACN-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-19(17,18)14-11-3-5-15(6-4-11)12(16)7-10-8-13-9-10/h10-11,13-14H,2-9H2,1H3
InChIKeyRLJUSKIPKZDOGK-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.47
Rot. Bonds5

About N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide

N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 64610162) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
PubChem CID64610162
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-19(17,18)14-11-3-5-15(6-4-11)12(16)7-10-8-13-9-10/h10-11,13-14H,2-9H2,1H3
InChIKeyRLJUSKIPKZDOGK-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 60962768
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide (CID 64610162) is N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is RLJUSKIPKZDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-2-19(17,18)14-11-3-5-15(6-4-11)12(16)7-10-8-13-9-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 64610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).