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

C10H22N6OS — CID 70417144

IUPACN,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCN(CC)CC.NC(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C6H15N.C4H7N5OS/c1-4-7(5-2)6-3;5-3(10)1-2-9-4(11)6-7-8-9/h4-6H2,1-3H3;1-2H2,(H2,5,10)(H,6,8,11)
InChIKeyXNRAPUKCXSAORT-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.56
Rot. Bonds6

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

N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (PubChem CID 70417144) has the molecular formula C10H22N6OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
PubChem CID70417144
Molecular FormulaC10H22N6OS
Molecular Weight274.39 g/mol
Exact Mass274.16
IUPAC NameN,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCN(CC)CC.NC(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C6H15N.C4H7N5OS/c1-4-7(5-2)6-3;5-3(10)1-2-9-4(11)6-7-8-9/h4-6H2,1-3H3;1-2H2,(H2,5,10)(H,6,8,11)
InChIKeyXNRAPUKCXSAORT-UHFFFAOYSA-N
XLogP0.56
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The IUPAC name of N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (CID 70417144) is N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.
What is the SMILES notation for N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The canonical SMILES for N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is CCN(CC)CC.NC(=O)CCn1[nH]nnc1=S.
What is the InChIKey of N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The InChIKey is XNRAPUKCXSAORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H7N5OS/c1-4-7(5-2)6-3;5-3(10)1-2-9-4(11)6-7-8-9/h4-6H2,1-3H3;1-2H2,(H2,5,10)(H,6,8,11).
What are the key properties of N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is sourced from PubChem (CID 70417144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).