N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

C14H23N3O3S — CID 113139783

IUPACN-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-13(18)8-10-17(21(4,19)20)11-12-7-5-6-9-15-12/h5-7,9H,8,10-11H2,1-4H3,(H,16,18)
InChIKeyQGIWBPKSHJOAOL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.15
Rot. Bonds6

About N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 113139783) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID113139783
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-13(18)8-10-17(21(4,19)20)11-12-7-5-6-9-15-12/h5-7,9H,8,10-11H2,1-4H3,(H,16,18)
InChIKeyQGIWBPKSHJOAOL-UHFFFAOYSA-N
XLogP1.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide 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-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
3-[(2,6-dimethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 166266155
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (CID 113139783) is N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is CC(C)(C)NC(=O)CCN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is QGIWBPKSHJOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)16-13(18)8-10-17(21(4,19)20)11-12-7-5-6-9-15-12/h5-7,9H,8,10-11H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).