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

C14H17N5O3S2 — CID 4313551

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O3S2/c1-18(12-7-8-24(21,22)10-12)13(20)9-23-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyJFZLLQRWIHSTQR-UHFFFAOYSA-N
MW367.46 g/mol
LogP0.40
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4313551) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID4313551
Molecular FormulaC14H17N5O3S2
Molecular Weight367.46 g/mol
Exact Mass367.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O3S2/c1-18(12-7-8-24(21,22)10-12)13(20)9-23-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyJFZLLQRWIHSTQR-UHFFFAOYSA-N
XLogP0.40
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 50.40
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-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 4313551) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JFZLLQRWIHSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c1-18(12-7-8-24(21,22)10-12)13(20)9-23-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 367.46 g/mol, XLogP of 0.40, 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-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4313551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).