N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C13H17N5OS — CID 17398228

IUPACN,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)N(C)C
InChIInChI=1S/C13H17N5OS/c1-9-7-5-6-8-11(9)18-13(14-15-16-18)20-10(2)12(19)17(3)4/h5-8,10H,1-4H3
InChIKeyBCLTYVMRSUMQIT-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.54
Rot. Bonds4

About N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 17398228) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID17398228
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)N(C)C
InChIInChI=1S/C13H17N5OS/c1-9-7-5-6-8-11(9)18-13(14-15-16-18)20-10(2)12(19)17(3)4/h5-8,10H,1-4H3
InChIKeyBCLTYVMRSUMQIT-UHFFFAOYSA-N
XLogP1.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 17398228) is N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccccc1-n1nnnc1SC(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is BCLTYVMRSUMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-7-5-6-8-11(9)18-13(14-15-16-18)20-10(2)12(19)17(3)4/h5-8,10H,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 17398228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).