N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C9H15N3O2S2 — CID 65271130

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-5-7-3-4-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyUOWSZDICAMNPDJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.95
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271130) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65271130
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-5-7-3-4-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyUOWSZDICAMNPDJ-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65271130) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UOWSZDICAMNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-2-8-11-9(15-12-8)10-5-7-3-4-16(13,14)6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 261.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).