N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine

C7H15N5S2 — CID 146534310

IUPACN,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCSCSc1nnnn1CCN(C)C
InChIInChI=1S/C7H15N5S2/c1-11(2)4-5-12-7(8-9-10-12)14-6-13-3/h4-6H2,1-3H3
InChIKeyOZGFWCLEFCZJIK-UHFFFAOYSA-N
MW233.37 g/mol
LogP0.65
Rot. Bonds6

About N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine

N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine (PubChem CID 146534310) has the molecular formula C7H15N5S2 and a molecular weight of 233.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine
PubChem CID146534310
Molecular FormulaC7H15N5S2
Molecular Weight233.37 g/mol
Exact Mass233.08
IUPAC NameN,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCSCSc1nnnn1CCN(C)C
InChIInChI=1S/C7H15N5S2/c1-11(2)4-5-12-7(8-9-10-12)14-6-13-3/h4-6H2,1-3H3
InChIKeyOZGFWCLEFCZJIK-UHFFFAOYSA-N
XLogP0.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine (CID 146534310) is N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine is CSCSc1nnnn1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine?
The InChIKey is OZGFWCLEFCZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S2/c1-11(2)4-5-12-7(8-9-10-12)14-6-13-3/h4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine?
N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine has a molecular weight of 233.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 146534310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).