N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine

C13H23N3O2S — CID 79858850

IUPACN-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-4-7-14-11-12-6-5-8-15-13(12)16(2)9-10-19(3,17)18/h5-6,8,14H,4,7,9-11H2,1-3H3
InChIKeyBNSYATPGKLDQAI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.06
Rot. Bonds8

About N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine

N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 79858850) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
PubChem CID79858850
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-4-7-14-11-12-6-5-8-15-13(12)16(2)9-10-19(3,17)18/h5-6,8,14H,4,7,9-11H2,1-3H3
InChIKeyBNSYATPGKLDQAI-UHFFFAOYSA-N
XLogP1.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine 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-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 79849997
3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864976
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62281682
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 105390125

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine (CID 79858850) is N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is BNSYATPGKLDQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-7-14-11-12-6-5-8-15-13(12)16(2)9-10-19(3,17)18/h5-6,8,14H,4,7,9-11H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 79858850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).