2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C12H17N3O3S2 — CID 43301946

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CSc2ccc(N)nc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S2/c1-12(4-5-20(17,18)8-12)15-11(16)7-19-9-2-3-10(13)14-6-9/h2-3,6H,4-5,7-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyVWCHFSRFWVHKQK-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.45
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 43301946) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID43301946
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CSc2ccc(N)nc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S2/c1-12(4-5-20(17,18)8-12)15-11(16)7-19-9-2-3-10(13)14-6-9/h2-3,6H,4-5,7-8H2,1H3,(H2,13,14)(H,15,16)
InChIKeyVWCHFSRFWVHKQK-UHFFFAOYSA-N
XLogP0.45
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide 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-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 8926497
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 9373371
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9373882
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 40551077
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41272854
2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62817058
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 43301946) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CSc2ccc(N)nc2)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VWCHFSRFWVHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-12(4-5-20(17,18)8-12)15-11(16)7-19-9-2-3-10(13)14-6-9/h2-3,6H,4-5,7-8H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 43301946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).