N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide

C7H11N5OS — CID 79401006

IUPACN-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESO=C(CCn1[nH]nnc1=S)NC1CC1
InChIInChI=1S/C7H11N5OS/c13-6(8-5-1-2-5)3-4-12-7(14)9-10-11-12/h5H,1-4H2,(H,8,13)(H,9,11,14)
InChIKeyJBZKLPPUNWUDQJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP0.00
Rot. Bonds4

About N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide

N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (PubChem CID 79401006) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
PubChem CID79401006
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC NameN-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESO=C(CCn1[nH]nnc1=S)NC1CC1
InChIInChI=1S/C7H11N5OS/c13-6(8-5-1-2-5)3-4-12-7(14)9-10-11-12/h5H,1-4H2,(H,8,13)(H,9,11,14)
InChIKeyJBZKLPPUNWUDQJ-UHFFFAOYSA-N
XLogP0.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide 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-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (CID 79401006) is N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is O=C(CCn1[nH]nnc1=S)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The InChIKey is JBZKLPPUNWUDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c13-6(8-5-1-2-5)3-4-12-7(14)9-10-11-12/h5H,1-4H2,(H,8,13)(H,9,11,14).
What are the key properties of N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide has a molecular weight of 213.27 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is sourced from PubChem (CID 79401006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).