N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide

C11H25N3O4S2 — CID 49459657

IUPACN-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O4S2/c1-3-19(15,16)12-8-6-9-13-20(17,18)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3
InChIKeyMPAJOQRUOWKRCC-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.02
Rot. Bonds8

About N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide

N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 49459657) has the molecular formula C11H25N3O4S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
PubChem CID49459657
Molecular FormulaC11H25N3O4S2
Molecular Weight327.47 g/mol
Exact Mass327.13
IUPAC NameN-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O4S2/c1-3-19(15,16)12-8-6-9-13-20(17,18)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3
InChIKeyMPAJOQRUOWKRCC-UHFFFAOYSA-N
XLogP0.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
CID 106387026
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methylpiperidine-1-sulfonamide
CID 75402901
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide (CID 49459657) is N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide is CCS(=O)(=O)NCCCNS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is MPAJOQRUOWKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S2/c1-3-19(15,16)12-8-6-9-13-20(17,18)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide?
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 327.47 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 49459657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).