N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide

C10H21N5O2S — CID 106387026

IUPACN-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N5O2S/c1-10-6-2-5-9-15(10)18(16,17)13-8-4-3-7-12-14-11/h10,13H,2-9H2,1H3
InChIKeyCDXVZOCGVSINCH-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.79
Rot. Bonds7

About N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide

N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 106387026) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
PubChem CID106387026
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC NameN-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N5O2S/c1-10-6-2-5-9-15(10)18(16,17)13-8-4-3-7-12-14-11/h10,13H,2-9H2,1H3
InChIKeyCDXVZOCGVSINCH-UHFFFAOYSA-N
XLogP1.79
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
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
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 113462919
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide (CID 106387026) is N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is CDXVZOCGVSINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-10-6-2-5-9-15(10)18(16,17)13-8-4-3-7-12-14-11/h10,13H,2-9H2,1H3.
What are the key properties of N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide?
N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 275.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 106387026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).