N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C14H17N5OS — CID 7661441

IUPACN-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H17N5OS/c1-9-3-6-12(7-10(9)2)19-14(16-17-18-19)21-8-13(20)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,20)
InChIKeyVCWIMLXLOMNANJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.65
Rot. Bonds5

About N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7661441) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7661441
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H17N5OS/c1-9-3-6-12(7-10(9)2)19-14(16-17-18-19)21-8-13(20)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,20)
InChIKeyVCWIMLXLOMNANJ-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7661441) is N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is VCWIMLXLOMNANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-3-6-12(7-10(9)2)19-14(16-17-18-19)21-8-13(20)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,20).
What are the key properties of N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 303.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7661441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).