N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C13H18N6OS — CID 855255

IUPACN-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N6OS/c1-4-19-13(15-16-17-19)21-9-12(20)14-10-5-7-11(8-6-10)18(2)3/h5-8H,4,9H2,1-3H3,(H,14,20)
InChIKeyDABFOGUONKRICO-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.49
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 855255) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID855255
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N6OS/c1-4-19-13(15-16-17-19)21-9-12(20)14-10-5-7-11(8-6-10)18(2)3/h5-8H,4,9H2,1-3H3,(H,14,20)
InChIKeyDABFOGUONKRICO-UHFFFAOYSA-N
XLogP1.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 855255) is N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is DABFOGUONKRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-4-19-13(15-16-17-19)21-9-12(20)14-10-5-7-11(8-6-10)18(2)3/h5-8H,4,9H2,1-3H3,(H,14,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 306.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 855255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).