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

C15H19N5O3S2 — CID 4006310

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S2/c1-2-19(13-8-9-25(22,23)11-13)14(21)10-24-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyLKMYJZWOPGIMKQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.79
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4006310) 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-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID4006310
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S2/c1-2-19(13-8-9-25(22,23)11-13)14(21)10-24-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyLKMYJZWOPGIMKQ-UHFFFAOYSA-N
XLogP0.79
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.79
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-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 4006310) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LKMYJZWOPGIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-2-19(13-8-9-25(22,23)11-13)14(21)10-24-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 381.48 g/mol, XLogP of 0.79, 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-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4006310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).