N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide

C11H16ClN3O2S — CID 75431022

IUPACN-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CN)C2CC2)cnc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-7-4-9(6-14-11(7)12)18(16,17)15-10(5-13)8-2-3-8/h4,6,8,10,15H,2-3,5,13H2,1H3
InChIKeyMXULREVMJCTAKP-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.06
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide

N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide (PubChem CID 75431022) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide
PubChem CID75431022
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CN)C2CC2)cnc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-7-4-9(6-14-11(7)12)18(16,17)15-10(5-13)8-2-3-8/h4,6,8,10,15H,2-3,5,13H2,1H3
InChIKeyMXULREVMJCTAKP-UHFFFAOYSA-N
XLogP1.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide 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-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopentylethyl)-5-chloropyridine-3-sulfonamide
CID 120584957
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
CID 84591390
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide (CID 75431022) is N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide is Cc1cc(S(=O)(=O)NC(CN)C2CC2)cnc1Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide?
The InChIKey is MXULREVMJCTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7-4-9(6-14-11(7)12)18(16,17)15-10(5-13)8-2-3-8/h4,6,8,10,15H,2-3,5,13H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 75431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).