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

C14H17N5O3S — CID 24981269

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O3S/c1-18(12-7-8-23(21,22)10-12)13(20)9-19-16-14(15-17-19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyHDDKINVADBSMIP-UHFFFAOYSA-N
MW335.39 g/mol
LogP-0.01
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 24981269) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID24981269
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N5O3S/c1-18(12-7-8-23(21,22)10-12)13(20)9-19-16-14(15-17-19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyHDDKINVADBSMIP-UHFFFAOYSA-N
XLogP-0.01
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 24981269) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HDDKINVADBSMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-18(12-7-8-23(21,22)10-12)13(20)9-19-16-14(15-17-19)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-(5-phenyltetrazol-2-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 335.39 g/mol, XLogP of -0.01, 4 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-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 24981269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).