5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine

C10H20N4S2 — CID 173460741

IUPAC5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine
SMILESCCC1CN(C2=NC(N(C)C)SS2)CCN1
InChIInChI=1S/C10H20N4S2/c1-4-8-7-14(6-5-11-8)10-12-9(13(2)3)15-16-10/h8-9,11H,4-7H2,1-3H3
InChIKeyAOXBGVSWQABQQJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.27
Rot. Bonds2

About 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine

5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine (PubChem CID 173460741) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine
PubChem CID173460741
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine
SMILESCCC1CN(C2=NC(N(C)C)SS2)CCN1
InChIInChI=1S/C10H20N4S2/c1-4-8-7-14(6-5-11-8)10-12-9(13(2)3)15-16-10/h8-9,11H,4-7H2,1-3H3
InChIKeyAOXBGVSWQABQQJ-UHFFFAOYSA-N
XLogP1.27
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine?
The IUPAC name of 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine (CID 173460741) is 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine.
What is the SMILES notation for 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine?
The canonical SMILES for 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine is CCC1CN(C2=NC(N(C)C)SS2)CCN1.
What is the InChIKey of 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine?
The InChIKey is AOXBGVSWQABQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-4-8-7-14(6-5-11-8)10-12-9(13(2)3)15-16-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine?
5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine has a molecular weight of 260.43 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-3-amine is sourced from PubChem (CID 173460741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).