N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H21N3O2S — CID 114701089

IUPACN-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(2)14-6-7-18(16,17)15-9-12-4-5-13-8-11(12)3/h4-5,8,10,14-15H,6-7,9H2,1-3H3
InChIKeyXEYURPXJBHHHSH-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.81
Rot. Bonds7

About N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 114701089) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID114701089
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(2)14-6-7-18(16,17)15-9-12-4-5-13-8-11(12)3/h4-5,8,10,14-15H,6-7,9H2,1-3H3
InChIKeyXEYURPXJBHHHSH-UHFFFAOYSA-N
XLogP0.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide 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

2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
CID 106083535
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
CID 114142279
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106094917
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 114701089) is N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is Cc1cnccc1CNS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is XEYURPXJBHHHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)14-6-7-18(16,17)15-9-12-4-5-13-8-11(12)3/h4-5,8,10,14-15H,6-7,9H2,1-3H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114701089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).