N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C11H19N5O3S2 — CID 24518535

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-3-15(9-5-6-21(18,19)8-9)10(17)7-20-11-12-13-14-16(11)4-2/h9H,3-8H2,1-2H3
InChIKeyBVJKBORBFOJPHG-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.18
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 24518535) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID24518535
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-3-15(9-5-6-21(18,19)8-9)10(17)7-20-11-12-13-14-16(11)4-2/h9H,3-8H2,1-2H3
InChIKeyBVJKBORBFOJPHG-UHFFFAOYSA-N
XLogP-0.18
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.18
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-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 24518535) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCN(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BVJKBORBFOJPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-3-15(9-5-6-21(18,19)8-9)10(17)7-20-11-12-13-14-16(11)4-2/h9H,3-8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 333.44 g/mol, XLogP of -0.18, 6 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-ethyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 24518535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).