1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine

C8H13N3O2S2 — CID 61057536

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESO=S1(=O)CCC(CNCc2csnn2)C1
InChIInChI=1S/C8H13N3O2S2/c12-15(13)2-1-7(6-15)3-9-4-8-5-14-11-10-8/h5,7,9H,1-4,6H2
InChIKeyWWMRWUWEZWAARD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.06
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 61057536) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID61057536
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESO=S1(=O)CCC(CNCc2csnn2)C1
InChIInChI=1S/C8H13N3O2S2/c12-15(13)2-1-7(6-15)3-9-4-8-5-14-11-10-8/h5,7,9H,1-4,6H2
InChIKeyWWMRWUWEZWAARD-UHFFFAOYSA-N
XLogP0.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 61057536) is 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine is O=S1(=O)CCC(CNCc2csnn2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is WWMRWUWEZWAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c12-15(13)2-1-7(6-15)3-9-4-8-5-14-11-10-8/h5,7,9H,1-4,6H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61057536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).