N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C6H11N5OS — CID 3428688

IUPACN-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nnnn1C
InChIInChI=1S/C6H11N5OS/c1-3-7-5(12)4-13-6-8-9-10-11(6)2/h3-4H2,1-2H3,(H,7,12)
InChIKeyMQIQXHBHXMVQHN-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.56
Rot. Bonds4

About N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3428688) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID3428688
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC NameN-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nnnn1C
InChIInChI=1S/C6H11N5OS/c1-3-7-5(12)4-13-6-8-9-10-11(6)2/h3-4H2,1-2H3,(H,7,12)
InChIKeyMQIQXHBHXMVQHN-UHFFFAOYSA-N
XLogP-0.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 3428688) is N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCNC(=O)CSc1nnnn1C.
What is the InChIKey of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MQIQXHBHXMVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-3-7-5(12)4-13-6-8-9-10-11(6)2/h3-4H2,1-2H3,(H,7,12).
What are the key properties of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 201.25 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3428688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).