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

C7H11N5O3S — CID 45148250

IUPACN-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11N5O3S/c13-7(3-12-5-8-10-11-12)9-6-1-2-16(14,15)4-6/h5-6H,1-4H2,(H,9,13)
InChIKeyHECNVHNAUYERFJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP-2.02
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 45148250) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID45148250
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11N5O3S/c13-7(3-12-5-8-10-11-12)9-6-1-2-16(14,15)4-6/h5-6H,1-4H2,(H,9,13)
InChIKeyHECNVHNAUYERFJ-UHFFFAOYSA-N
XLogP-2.02
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53529437
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24522854
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 24523214
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47162051
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 54901519
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide
CID 54901620
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 61015791
2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 61111482
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 61113424
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylacetamide
CID 61114222
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61125953
N-(2-sulfamoylethyl)-2-(tetrazol-1-yl)acetamide
CID 61130292

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide (CID 45148250) is N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is HECNVHNAUYERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c13-7(3-12-5-8-10-11-12)9-6-1-2-16(14,15)4-6/h5-6H,1-4H2,(H,9,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 245.26 g/mol, XLogP of -2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 45148250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).