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

C10H20N10S2 — CID 144687362

IUPAC2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nnnc1SSc1nnnn1CCN(C)C
InChIInChI=1S/C10H20N10S2/c1-17(2)5-7-19-9(11-13-15-19)21-22-10-12-14-16-20(10)8-6-18(3)4/h5-8H2,1-4H3
InChIKeyRTDAAPYOBZQVCA-UHFFFAOYSA-N
MW344.47 g/mol
LogP-0.42
Rot. Bonds9

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

2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 144687362) has the molecular formula C10H20N10S2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
PubChem CID144687362
Molecular FormulaC10H20N10S2
Molecular Weight344.47 g/mol
Exact Mass344.13
IUPAC Name2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nnnc1SSc1nnnn1CCN(C)C
InChIInChI=1S/C10H20N10S2/c1-17(2)5-7-19-9(11-13-15-19)21-22-10-12-14-16-20(10)8-6-18(3)4/h5-8H2,1-4H3
InChIKeyRTDAAPYOBZQVCA-UHFFFAOYSA-N
XLogP-0.42
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine
CID 146534310
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]acetic acid
CID 56983415
2-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylacetaldehyde
CID 173388790
(2S)-2-cyclohexyl-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetonitrile
CID 95628390
2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]ethanamine
CID 82228376
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethyl hydrogen carbonate
CID 70441241
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethylcarbamic acid
CID 54203893
2-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyltetrazol-1-yl]-N,N-dimethylethanamine;hydrochloride
CID 171349370
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 71968180

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine (CID 144687362) is 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nnnc1SSc1nnnn1CCN(C)C.
What is the InChIKey of 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RTDAAPYOBZQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N10S2/c1-17(2)5-7-19-9(11-13-15-19)21-22-10-12-14-16-20(10)8-6-18(3)4/h5-8H2,1-4H3.
What are the key properties of 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 344.47 g/mol, XLogP of -0.42, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 144687362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).