1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one

C12H18N2O3S — CID 82897488

IUPAC1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC1CCCS1(=O)=O
InChIInChI=1S/C12H18N2O3S/c15-12-5-1-2-7-14(12)8-6-13-10-11-4-3-9-18(11,16)17/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeyTYHICWQFZGQLON-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.02
Rot. Bonds5

About 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one

1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one (PubChem CID 82897488) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one
PubChem CID82897488
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC1CCCS1(=O)=O
InChIInChI=1S/C12H18N2O3S/c15-12-5-1-2-7-14(12)8-6-13-10-11-4-3-9-18(11,16)17/h1-2,5,7,11,13H,3-4,6,8-10H2
InChIKeyTYHICWQFZGQLON-UHFFFAOYSA-N
XLogP0.02
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1,1-Dioxothiolan-3-yl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310838
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide
CID 139516817
5-Amino-1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]pyridin-2-one
CID 43648514
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 47106518
3-cyclopentylsulfonyl-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101063
(2E,4E)-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)hexa-2,4-dienamide
CID 53589896
5-[(1,1-Dioxothian-4-yl)amino]-1-propylpyridin-2-one
CID 54863769
5-[(1,1-Dioxothian-4-yl)amino]-1-ethylpyridin-2-one
CID 54864089
5-[(1,1-Dioxothiolan-3-yl)amino]-1-ethylpyridin-2-one
CID 54866878
5-[(1,1-Dioxothiolan-3-yl)amino]-1-propylpyridin-2-one
CID 54866901
1-[2-[(1,1-Dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
CID 55087439
2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55118102

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one (CID 82897488) is 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one is O=c1ccccn1CCNCC1CCCS1(=O)=O.
What is the InChIKey of 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one?
The InChIKey is TYHICWQFZGQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12-5-1-2-7-14(12)8-6-13-10-11-4-3-9-18(11,16)17/h1-2,5,7,11,13H,3-4,6,8-10H2.
What are the key properties of 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one?
1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one has a molecular weight of 270.35 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,1-dioxothiolan-2-yl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).