N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide

C11H20N6OS — CID 119940232

IUPACN-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCC(NC(=O)CC1CSCCN1)c1nn[nH]n1
InChIInChI=1S/C11H20N6OS/c1-2-3-9(11-14-16-17-15-11)13-10(18)6-8-7-19-5-4-12-8/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyOQHUTKKKJSECTC-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.25
Rot. Bonds6

About N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide

N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940232) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940232
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC NameN-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCC(NC(=O)CC1CSCCN1)c1nn[nH]n1
InChIInChI=1S/C11H20N6OS/c1-2-3-9(11-14-16-17-15-11)13-10(18)6-8-7-19-5-4-12-8/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyOQHUTKKKJSECTC-UHFFFAOYSA-N
XLogP0.25
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide (CID 119940232) is N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide is CCCC(NC(=O)CC1CSCCN1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OQHUTKKKJSECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-2-3-9(11-14-16-17-15-11)13-10(18)6-8-7-19-5-4-12-8/h8-9,12H,2-7H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 284.39 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)butyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).