N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide

C12H24N2O3S — CID 62822942

IUPACN-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCC1CCOC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-9-12-3-7-17-10-12)8-4-11-1-5-13-6-2-11/h11-14H,1-10H2
InChIKeyFSPBJJKFGUORIP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.33
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide

N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 62822942) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID62822942
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCC1CCOC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-9-12-3-7-17-10-12)8-4-11-1-5-13-6-2-11/h11-14H,1-10H2
InChIKeyFSPBJJKFGUORIP-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide (CID 62822942) is N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is FSPBJJKFGUORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-18(16,14-9-12-3-7-17-10-12)8-4-11-1-5-13-6-2-11/h11-14H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide?
N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 62822942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).