ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide

C5H14N2OS — CID 142237942

IUPACethane;3-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCC.CC1CNS(=O)N1
InChIInChI=1S/C3H8N2OS.C2H6/c1-3-2-4-7(6)5-3;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyFCQMSOSBTSWYOZ-UHFFFAOYSA-N
MW150.25 g/mol
LogP0.17
Rot. Bonds

About ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide

ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide (PubChem CID 142237942) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide.

Molecular Properties

Compound Nameethane;3-methyl-1,2,5-thiadiazolidine 1-oxide
PubChem CID142237942
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC Nameethane;3-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCC.CC1CNS(=O)N1
InChIInChI=1S/C3H8N2OS.C2H6/c1-3-2-4-7(6)5-3;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyFCQMSOSBTSWYOZ-UHFFFAOYSA-N
XLogP0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10261144
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
3,3-Dimethyl-1,2,5-thiadiazolidine
CID 56990736
3,4-Dimethyl-2,5-dioxido-1,2,5-thiadiazolidine-2,5-diium
CID 59104149
3-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 68021680
3-Methyl-1,2,5-thiadiazolidine
CID 68099549
3-Ethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 68222197
3-Propan-2-yl-1,2,5-thiadiazolidine 1-oxide
CID 68332083
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
3-Methyl-1,2,5-thiadiazolidine 1-oxide
CID 89345474
(3R)-3-ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89345517
(3R)-3-methyl-1,2,5-thiadiazolidine
CID 145737879

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide?
The IUPAC name of ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide (CID 142237942) is ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide.
What is the SMILES notation for ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide?
The canonical SMILES for ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide is CC.CC1CNS(=O)N1.
What is the InChIKey of ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide?
The InChIKey is FCQMSOSBTSWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS.C2H6/c1-3-2-4-7(6)5-3;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide?
ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide has a molecular weight of 150.25 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,5-thiadiazolidine 1-oxide is sourced from PubChem (CID 142237942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).