N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C15H27N5O3S — CID 47073910

IUPACN-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCCCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N5O3S/c1-5-6-8-19(12-7-9-24(22,23)11-12)13(21)10-20-14(15(2,3)4)16-17-18-20/h12H,5-11H2,1-4H3
InChIKeyDZMBAYAVHWCIBS-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.79
Rot. Bonds6

About N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 47073910) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID47073910
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCCCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N5O3S/c1-5-6-8-19(12-7-9-24(22,23)11-12)13(21)10-20-14(15(2,3)4)16-17-18-20/h12H,5-11H2,1-4H3
InChIKeyDZMBAYAVHWCIBS-UHFFFAOYSA-N
XLogP0.79
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 47073910) is N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is CCCCN(C(=O)Cn1nnnc1C(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DZMBAYAVHWCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-5-6-8-19(12-7-9-24(22,23)11-12)13(21)10-20-14(15(2,3)4)16-17-18-20/h12H,5-11H2,1-4H3.
What are the key properties of N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-tert-butyltetrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 47073910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).