N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

C11H23N5S2 — CID 114268875

IUPACN-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1nnnc1SCCSC(C)C
InChIInChI=1S/C11H23N5S2/c1-9(2)12-5-6-16-11(13-14-15-16)18-8-7-17-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWYZNDSAFRVVNCT-UHFFFAOYSA-N
MW289.47 g/mol
LogP1.90
Rot. Bonds9

About N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine

N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (PubChem CID 114268875) has the molecular formula C11H23N5S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
PubChem CID114268875
Molecular FormulaC11H23N5S2
Molecular Weight289.47 g/mol
Exact Mass289.14
IUPAC NameN-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1nnnc1SCCSC(C)C
InChIInChI=1S/C11H23N5S2/c1-9(2)12-5-6-16-11(13-14-15-16)18-8-7-17-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWYZNDSAFRVVNCT-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine (CID 114268875) is N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is CC(C)NCCn1nnnc1SCCSC(C)C.
What is the InChIKey of N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is WYZNDSAFRVVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5S2/c1-9(2)12-5-6-16-11(13-14-15-16)18-8-7-17-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine?
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 114268875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).