N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide

C13H28N2O3S — CID 54999169

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H28N2O3S/c1-3-13(4-2)15(9-10-16)19(17,18)11-12-5-7-14-8-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyQWRRTVJKSHRHRS-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.80
Rot. Bonds8

About N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide

N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54999169) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
PubChem CID54999169
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H28N2O3S/c1-3-13(4-2)15(9-10-16)19(17,18)11-12-5-7-14-8-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyQWRRTVJKSHRHRS-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-pentan-3-ylpyrrolidine-3-sulfonamide
CID 65420490
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
CID 54972194
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 54999140
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079
1-cyclopropyl-N-methyl-N-piperidin-4-ylmethanesulfonamide;hydrochloride
CID 119998743
N-hexan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 62118973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide (CID 54999169) is N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide is CCC(CC)N(CCO)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is QWRRTVJKSHRHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-13(4-2)15(9-10-16)19(17,18)11-12-5-7-14-8-6-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54999169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).