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

C10H19N5OS — CID 54565240

IUPACN,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCN(CCC)C(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C10H19N5OS/c1-3-6-14(7-4-2)9(16)5-8-15-10(17)11-12-13-15/h3-8H2,1-2H3,(H,11,13,17)
InChIKeyZTIWDQDGYXIBHM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.37
Rot. Bonds7

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

N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (PubChem CID 54565240) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
PubChem CID54565240
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCN(CCC)C(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C10H19N5OS/c1-3-6-14(7-4-2)9(16)5-8-15-10(17)11-12-13-15/h3-8H2,1-2H3,(H,11,13,17)
InChIKeyZTIWDQDGYXIBHM-UHFFFAOYSA-N
XLogP1.37
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The IUPAC name of N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (CID 54565240) is N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.
What is the SMILES notation for N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The canonical SMILES for N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is CCCN(CCC)C(=O)CCn1[nH]nnc1=S.
What is the InChIKey of N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The InChIKey is ZTIWDQDGYXIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-3-6-14(7-4-2)9(16)5-8-15-10(17)11-12-13-15/h3-8H2,1-2H3,(H,11,13,17).
What are the key properties of N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide has a molecular weight of 257.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is sourced from PubChem (CID 54565240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).