N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide

C12H24N2O3S — CID 54972026

IUPACN-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCNCC1)C1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-10(12-3-2-8-17-12)14-18(15,16)9-11-4-6-13-7-5-11/h10-14H,2-9H2,1H3
InChIKeyRLHLFNODDFHKHR-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.47
Rot. Bonds5

About N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide

N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54972026) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID54972026
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCNCC1)C1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-10(12-3-2-8-17-12)14-18(15,16)9-11-4-6-13-7-5-11/h10-14H,2-9H2,1H3
InChIKeyRLHLFNODDFHKHR-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (CID 54972026) is N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is CC(NS(=O)(=O)CC1CCNCC1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is RLHLFNODDFHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(12-3-2-8-17-12)14-18(15,16)9-11-4-6-13-7-5-11/h10-14H,2-9H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 276.40 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-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54972026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).