N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide

C11H25N3O3S — CID 104593982

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O3S/c1-10-5-3-4-8-14(10)18(16,17)13-7-6-12-9-11(2)15/h10-13,15H,3-9H2,1-2H3
InChIKeyJWQCGGMZVGLRTA-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.33
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 104593982) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
PubChem CID104593982
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O3S/c1-10-5-3-4-8-14(10)18(16,17)13-7-6-12-9-11(2)15/h10-13,15H,3-9H2,1-2H3
InChIKeyJWQCGGMZVGLRTA-UHFFFAOYSA-N
XLogP-0.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 113462919
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
CID 106387026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide (CID 104593982) is N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide is CC(O)CNCCNS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is JWQCGGMZVGLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10-5-3-4-8-14(10)18(16,17)13-7-6-12-9-11(2)15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104593982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).