N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide

C8H13N5O3S — CID 110852994

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H13N5O3S/c1-12(7-2-3-17(15,16)5-7)8(14)4-13-6-9-10-11-13/h6-7H,2-5H2,1H3
InChIKeyZBLSTSXCRQODJQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.68
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 110852994) has the molecular formula C8H13N5O3S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID110852994
Molecular FormulaC8H13N5O3S
Molecular Weight259.29 g/mol
Exact Mass259.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H13N5O3S/c1-12(7-2-3-17(15,16)5-7)8(14)4-13-6-9-10-11-13/h6-7H,2-5H2,1H3
InChIKeyZBLSTSXCRQODJQ-UHFFFAOYSA-N
XLogP-1.68
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16318090
N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 16309119
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 9267835
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 9267836
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 9509719
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 9509720
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 24518535
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 24520371
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 24523214
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 24574157
N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide
CID 45148250
N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47073910

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide (CID 110852994) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide is CN(C(=O)Cn1cnnn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZBLSTSXCRQODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S/c1-12(7-2-3-17(15,16)5-7)8(14)4-13-6-9-10-11-13/h6-7H,2-5H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 259.29 g/mol, XLogP of -1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 110852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).