N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide

C12H26N2O3S — CID 61426140

IUPACN-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-2-8-14(9-10-15)18(16,17)11-5-12-3-6-13-7-4-12/h12-13,15H,2-11H2,1H3
InChIKeyWVCZPDFQGDVGAA-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.41
Rot. Bonds8

About N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide

N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide (PubChem CID 61426140) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
PubChem CID61426140
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-2-8-14(9-10-15)18(16,17)11-5-12-3-6-13-7-4-12/h12-13,15H,2-11H2,1H3
InChIKeyWVCZPDFQGDVGAA-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
CID 117125827
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide (CID 61426140) is N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide is CCCN(CCO)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide?
The InChIKey is WVCZPDFQGDVGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-2-8-14(9-10-15)18(16,17)11-5-12-3-6-13-7-4-12/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide?
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide is sourced from PubChem (CID 61426140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).