N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine

C7H15N5S — CID 18421376

IUPACN,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine
SMILESCCN(CC)CCc1nnnn1S
InChIInChI=1S/C7H15N5S/c1-3-11(4-2)6-5-7-8-9-10-12(7)13/h13H,3-6H2,1-2H3
InChIKeyZIHLYXLELJAQHA-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.25
Rot. Bonds5

About N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine

N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine (PubChem CID 18421376) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine
PubChem CID18421376
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC NameN,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine
SMILESCCN(CC)CCc1nnnn1S
InChIInChI=1S/C7H15N5S/c1-3-11(4-2)6-5-7-8-9-10-12(7)13/h13H,3-6H2,1-2H3
InChIKeyZIHLYXLELJAQHA-UHFFFAOYSA-N
XLogP0.25
TPSA46.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine (CID 18421376) is N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine is CCN(CC)CCc1nnnn1S.
What is the InChIKey of N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine?
The InChIKey is ZIHLYXLELJAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-3-11(4-2)6-5-7-8-9-10-12(7)13/h13H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine?
N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine has a molecular weight of 201.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-sulfanyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 18421376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).