N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide

C11H21N5OS — CID 70430296

IUPACN-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide
SMILESCCCCNC(=O)C(Cc1nnnn1CC)SC
InChIInChI=1S/C11H21N5OS/c1-4-6-7-12-11(17)9(18-3)8-10-13-14-15-16(10)5-2/h9H,4-8H2,1-3H3,(H,12,17)
InChIKeyUNGOCYJHLHWEMZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.88
Rot. Bonds8

About N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide

N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide (PubChem CID 70430296) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide
PubChem CID70430296
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC NameN-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide
SMILESCCCCNC(=O)C(Cc1nnnn1CC)SC
InChIInChI=1S/C11H21N5OS/c1-4-6-7-12-11(17)9(18-3)8-10-13-14-15-16(10)5-2/h9H,4-8H2,1-3H3,(H,12,17)
InChIKeyUNGOCYJHLHWEMZ-UHFFFAOYSA-N
XLogP0.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide 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-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide?
The IUPAC name of N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide (CID 70430296) is N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide is CCCCNC(=O)C(Cc1nnnn1CC)SC.
What is the InChIKey of N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide?
The InChIKey is UNGOCYJHLHWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-6-7-12-11(17)9(18-3)8-10-13-14-15-16(10)5-2/h9H,4-8H2,1-3H3,(H,12,17).
What are the key properties of N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide?
N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide has a molecular weight of 271.39 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 70430296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).