N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide

C18H30N2O4S — CID 25037634

IUPACN-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-13-16-6-8-20(9-7-16)14-17-4-3-5-18(12-17)24-11-10-21/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3
InChIKeyHZBODDLNQUYMEH-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.60
Rot. Bonds9

About N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide

N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide (PubChem CID 25037634) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
PubChem CID25037634
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-13-16-6-8-20(9-7-16)14-17-4-3-5-18(12-17)24-11-10-21/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3
InChIKeyHZBODDLNQUYMEH-UHFFFAOYSA-N
XLogP1.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide (CID 25037634) is N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCN(Cc2cccc(OCCO)c2)CC1.
What is the InChIKey of N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide?
The InChIKey is HZBODDLNQUYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-13-16-6-8-20(9-7-16)14-17-4-3-5-18(12-17)24-11-10-21/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide?
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 25037634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).