3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane

Name: 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₂₀N₂O₂S — CID 156897618

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane

SMILESC.CC.CC1(C)CNS(=O)(=O)N1

InChIInChI=1S/C4H10N2O2S.C2H6.CH4/c1-4(2)3-5-9(7,8)6-4;1-2;/h5-6H,3H2,1-2H3;1-2H3;1H4

InChIKeyIHDXRFSJGXPTRK-UHFFFAOYSA-N

MW196.32 g/mol

LogP0.86

Rot. Bonds

About 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane

3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane (PubChem CID 156897618) has the molecular formula C₇H₂₀N₂O₂S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane.

Molecular Properties

Compound Name	3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane
PubChem CID	156897618
Molecular Formula	C₇H₂₀N₂O₂S
Molecular Weight	196.32 g/mol
Exact Mass	196.12
IUPAC Name	3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane
SMILES	C.CC.CC1(C)CNS(=O)(=O)N1
InChI	InChI=1S/C4H10N2O2S.C2H6.CH4/c1-4(2)3-5-9(7,8)6-4;1-2;/h5-6H,3H2,1-2H3;1-2H3;1H4
InChIKey	IHDXRFSJGXPTRK-UHFFFAOYSA-N
XLogP	0.86
TPSA	58.20 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.32
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane?

The IUPAC name of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane (CID 156897618) is 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane.

What is the SMILES notation for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane?

The canonical SMILES for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane is C.CC.CC1(C)CNS(=O)(=O)N1.

What is the InChIKey of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane?

The InChIKey is IHDXRFSJGXPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.C2H6.CH4/c1-4(2)3-5-9(7,8)6-4;1-2;/h5-6H,3H2,1-2H3;1-2H3;1H4.

What are the key properties of 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane?

3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane has a molecular weight of 196.32 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;ethane;methane is sourced from PubChem (CID 156897618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156897618 — identifiers, structure, computed properties (public domain)

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