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

C7H13N5OS — CID 54289772

IUPACN-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCNC(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C7H13N5OS/c1-2-4-8-6(13)3-5-12-7(14)9-10-11-12/h2-5H2,1H3,(H,8,13)(H,9,11,14)
InChIKeyRWRCEBZODYFFIL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.25
Rot. Bonds5

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

N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (PubChem CID 54289772) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
PubChem CID54289772
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC NameN-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCNC(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C7H13N5OS/c1-2-4-8-6(13)3-5-12-7(14)9-10-11-12/h2-5H2,1H3,(H,8,13)(H,9,11,14)
InChIKeyRWRCEBZODYFFIL-UHFFFAOYSA-N
XLogP0.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)propanamide
CID 12458637
N-[2-(5-Sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)ethyl]acetamide
CID 13298510
N-[3-(5-Sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)propyl]acetamide
CID 13577138
1-Acetamidoethyl-5-mercaptotetrazole
CID 18935452
N-[4-(5-Sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)butyl]acetamide
CID 20249419
3-(5-sulfanylidene-2H-tetrazol-1-yl)propylurea
CID 20323685
1-[1-(acetamidomethyl)ethyl]-1H-tetrazole-5-thiol
CID 23324219
N-ethyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
CID 53690171
N,N-diethyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
CID 54205383
N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
CID 54419978
N-butyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
CID 54532906
N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
CID 54565240

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The IUPAC name of N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (CID 54289772) is N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.
What is the SMILES notation for N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The canonical SMILES for N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is CCCNC(=O)CCn1[nH]nnc1=S.
What is the InChIKey of N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The InChIKey is RWRCEBZODYFFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-2-4-8-6(13)3-5-12-7(14)9-10-11-12/h2-5H2,1H3,(H,8,13)(H,9,11,14).
What are the key properties of N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide has a molecular weight of 215.28 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is sourced from PubChem (CID 54289772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).