N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide

C6H11N5OS — CID 23324219

IUPACN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCC(C)n1[nH]nnc1=S
InChIInChI=1S/C6H11N5OS/c1-4(3-7-5(2)12)11-6(13)8-9-10-11/h4H,3H2,1-2H3,(H,7,12)(H,8,10,13)
InChIKeyDPNSZGQZWPLAQB-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.03
Rot. Bonds3

About N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide

N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide (PubChem CID 23324219) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide
PubChem CID23324219
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC NameN-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCC(C)n1[nH]nnc1=S
InChIInChI=1S/C6H11N5OS/c1-4(3-7-5(2)12)11-6(13)8-9-10-11/h4H,3H2,1-2H3,(H,7,12)(H,8,10,13)
InChIKeyDPNSZGQZWPLAQB-UHFFFAOYSA-N
XLogP0.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
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-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide?
The IUPAC name of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide (CID 23324219) is N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide is CC(=O)NCC(C)n1[nH]nnc1=S.
What is the InChIKey of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide?
The InChIKey is DPNSZGQZWPLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-4(3-7-5(2)12)11-6(13)8-9-10-11/h4H,3H2,1-2H3,(H,7,12)(H,8,10,13).
What are the key properties of N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide?
N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide has a molecular weight of 201.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 23324219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).