2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine

C12H24N10S2 — CID 146534466

IUPAC2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nnnc1SCCSc1nnnn1CCN(C)C
InChIInChI=1S/C12H24N10S2/c1-19(2)5-7-21-11(13-15-17-21)23-9-10-24-12-14-16-18-22(12)8-6-20(3)4/h5-10H2,1-4H3
InChIKeyQQTSGNQGOCCXAM-UHFFFAOYSA-N
MW372.53 g/mol
LogP-0.33
Rot. Bonds11

About 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine

2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 146534466) has the molecular formula C12H24N10S2 and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
PubChem CID146534466
Molecular FormulaC12H24N10S2
Molecular Weight372.53 g/mol
Exact Mass372.16
IUPAC Name2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nnnc1SCCSc1nnnn1CCN(C)C
InChIInChI=1S/C12H24N10S2/c1-19(2)5-7-21-11(13-15-17-21)23-9-10-24-12-14-16-18-22(12)8-6-20(3)4/h5-10H2,1-4H3
InChIKeyQQTSGNQGOCCXAM-UHFFFAOYSA-N
XLogP-0.33
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine (CID 146534466) is 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nnnc1SCCSc1nnnn1CCN(C)C.
What is the InChIKey of 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is QQTSGNQGOCCXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N10S2/c1-19(2)5-7-21-11(13-15-17-21)23-9-10-24-12-14-16-18-22(12)8-6-20(3)4/h5-10H2,1-4H3.
What are the key properties of 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 372.53 g/mol, XLogP of -0.33, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 146534466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).