N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide

C8H15N5OS — CID 21063387

IUPACN-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C8H15N5OS/c1-3-4-5-12(2)7(14)6-13-8(15)9-10-11-13/h3-6H2,1-2H3,(H,9,11,15)
InChIKeyVKBOZWSGOYDWTQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.59
Rot. Bonds5

About N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide

N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide (PubChem CID 21063387) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
PubChem CID21063387
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC NameN-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C8H15N5OS/c1-3-4-5-12(2)7(14)6-13-8(15)9-10-11-13/h3-6H2,1-2H3,(H,9,11,15)
InChIKeyVKBOZWSGOYDWTQ-UHFFFAOYSA-N
XLogP0.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide (CID 21063387) is N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide is CCCCN(C)C(=O)Cn1[nH]nnc1=S.
What is the InChIKey of N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The InChIKey is VKBOZWSGOYDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-3-4-5-12(2)7(14)6-13-8(15)9-10-11-13/h3-6H2,1-2H3,(H,9,11,15).
What are the key properties of N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide has a molecular weight of 229.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide is sourced from PubChem (CID 21063387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).