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

C15H23N3O4S — CID 113137961

IUPAC3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1cccnc1)CC1CCCO1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)18(12-14-5-3-9-22-14)8-6-15(19)17-11-13-4-2-7-16-10-13/h2,4,7,10,14H,3,5-6,8-9,11-12H2,1H3,(H,17,19)
InChIKeyWTDHKFMJSCFKRY-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.53
Rot. Bonds8

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

3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113137961) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113137961
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1cccnc1)CC1CCCO1
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)18(12-14-5-3-9-22-14)8-6-15(19)17-11-13-4-2-7-16-10-13/h2,4,7,10,14H,3,5-6,8-9,11-12H2,1H3,(H,17,19)
InChIKeyWTDHKFMJSCFKRY-UHFFFAOYSA-N
XLogP0.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide
CID 113138058
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143418
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113140433
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 113137961) is 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCc1cccnc1)CC1CCCO1.
What is the InChIKey of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WTDHKFMJSCFKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23(20,21)18(12-14-5-3-9-22-14)8-6-15(19)17-11-13-4-2-7-16-10-13/h2,4,7,10,14H,3,5-6,8-9,11-12H2,1H3,(H,17,19).
What are the key properties of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 341.43 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113137961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).