N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide

C15H23N3O3S — CID 113013666

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H23N3O3S/c1-3-4-5-15(19)17-12-6-7-14(16-10-12)18(2)13-8-9-22(20,21)11-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyAYEXGGKLMASUML-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.83
Rot. Bonds6

About N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide (PubChem CID 113013666) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
PubChem CID113013666
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H23N3O3S/c1-3-4-5-15(19)17-12-6-7-14(16-10-12)18(2)13-8-9-22(20,21)11-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyAYEXGGKLMASUML-UHFFFAOYSA-N
XLogP1.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113013675
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113013684
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109159423
N-[3-(dimethylamino)propyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109154402

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide (CID 113013666) is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide?
The InChIKey is AYEXGGKLMASUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-4-5-15(19)17-12-6-7-14(16-10-12)18(2)13-8-9-22(20,21)11-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide?
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide has a molecular weight of 325.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide is sourced from PubChem (CID 113013666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).