N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide

C12H23N3O4S — CID 64893796

IUPACN-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-2-20(17,18)14-10-3-6-15(7-4-10)11(16)12(13)5-8-19-9-12/h10,14H,2-9,13H2,1H3
InChIKeyZFRWPEAPISRAHW-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.97
Rot. Bonds4

About N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide

N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 64893796) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID64893796
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-2-20(17,18)14-10-3-6-15(7-4-10)11(16)12(13)5-8-19-9-12/h10,14H,2-9,13H2,1H3
InChIKeyZFRWPEAPISRAHW-UHFFFAOYSA-N
XLogP-0.97
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 64893796) is N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is ZFRWPEAPISRAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-2-20(17,18)14-10-3-6-15(7-4-10)11(16)12(13)5-8-19-9-12/h10,14H,2-9,13H2,1H3.
What are the key properties of N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 64893796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).