2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C11H18N4O3S2 — CID 64510632

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CSC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C11H18N4O3S2/c1-8-12-10(14-13-8)5-15(2)11(16)6-19-9-3-4-20(17,18)7-9/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVBIZPVPQFHAJLT-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.01
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64510632) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64510632
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CSC2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C11H18N4O3S2/c1-8-12-10(14-13-8)5-15(2)11(16)6-19-9-3-4-20(17,18)7-9/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVBIZPVPQFHAJLT-UHFFFAOYSA-N
XLogP-0.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64510632) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)CSC2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VBIZPVPQFHAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-8-12-10(14-13-8)5-15(2)11(16)6-19-9-3-4-20(17,18)7-9/h9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64510632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).