N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide

C11H21N5OS — CID 15765992

IUPACN,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C11H21N5OS/c1-3-5-7-15(8-6-4-2)10(17)9-16-11(18)12-13-14-16/h3-9H2,1-2H3,(H,12,14,18)
InChIKeySFHFLYXVMFGEGF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.76
Rot. Bonds8

About N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide

N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide (PubChem CID 15765992) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
PubChem CID15765992
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC NameN,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C11H21N5OS/c1-3-5-7-15(8-6-4-2)10(17)9-16-11(18)12-13-14-16/h3-9H2,1-2H3,(H,12,14,18)
InChIKeySFHFLYXVMFGEGF-UHFFFAOYSA-N
XLogP1.76
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.76
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,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide (CID 15765992) is N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide is CCCCN(CCCC)C(=O)Cn1[nH]nnc1=S.
What is the InChIKey of N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
The InChIKey is SFHFLYXVMFGEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-3-5-7-15(8-6-4-2)10(17)9-16-11(18)12-13-14-16/h3-9H2,1-2H3,(H,12,14,18).
What are the key properties of N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide?
N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide is sourced from PubChem (CID 15765992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).