N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C15H19N5O3S2 — CID 3903480

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S2/c1-11-5-3-4-6-13(11)20-15(16-17-18-20)24-9-14(21)19(2)12-7-8-25(22,23)10-12/h3-6,12H,7-10H2,1-2H3
InChIKeyXIOKIMQJEXBRJT-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.71
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3903480) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3903480
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S2/c1-11-5-3-4-6-13(11)20-15(16-17-18-20)24-9-14(21)19(2)12-7-8-25(22,23)10-12/h3-6,12H,7-10H2,1-2H3
InChIKeyXIOKIMQJEXBRJT-UHFFFAOYSA-N
XLogP0.71
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 3903480) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccccc1-n1nnnc1SCC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XIOKIMQJEXBRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-11-5-3-4-6-13(11)20-15(16-17-18-20)24-9-14(21)19(2)12-7-8-25(22,23)10-12/h3-6,12H,7-10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 381.48 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3903480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).