(1S)-thiadiazolidine 1-oxide

C2H6N2OS — CID 91334788

IUPAC(1S)-thiadiazolidine 1-oxide
SMILESO=[S@]1CCNN1
InChIInChI=1S/C2H6N2OS/c5-6-2-1-3-4-6/h3-4H,1-2H2/t6-/m0/s1
InChIKeyKBHUCINMWRCPTR-LURJTMIESA-N
MW106.15 g/mol
LogP-1.24
Rot. Bonds

About (1S)-thiadiazolidine 1-oxide

(1S)-thiadiazolidine 1-oxide (PubChem CID 91334788) has the molecular formula C2H6N2OS and a molecular weight of 106.15 g/mol. Its IUPAC name is (1S)-thiadiazolidine 1-oxide.

Molecular Properties

Compound Name(1S)-thiadiazolidine 1-oxide
PubChem CID91334788
Molecular FormulaC2H6N2OS
Molecular Weight106.15 g/mol
Exact Mass106.02
IUPAC Name(1S)-thiadiazolidine 1-oxide
SMILESO=[S@]1CCNN1
InChIInChI=1S/C2H6N2OS/c5-6-2-1-3-4-6/h3-4H,1-2H2/t6-/m0/s1
InChIKeyKBHUCINMWRCPTR-LURJTMIESA-N
XLogP-1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Thiadiazolidine 1,1-dioxide
CID 21243196
Thiadiazolidine
CID 21887071
Thiadiazolidine 1-oxide
CID 69623092
3-Oxidothiadiazolidin-3-ium 1,1-dioxide
CID 87599630
Thiadiazolidine 1,1-dioxide;hydrochloride
CID 140569796
5-Methylthiatriazolidine
CID 145818130
2-hydrazinyl-N-methylethanesulfinamide
CID 170258025
Azane;thiadiazolidine
CID 172712611
2-Oxidothiadiazolidin-2-ium bromide
CID 173095361
Copper;thiadiazolidine
CID 175091646
Pyrazolidine-4-sulfonamide
CID 77214815

Frequently Asked Questions

What is the IUPAC name of (1S)-thiadiazolidine 1-oxide?
The IUPAC name of (1S)-thiadiazolidine 1-oxide (CID 91334788) is (1S)-thiadiazolidine 1-oxide.
What is the SMILES notation for (1S)-thiadiazolidine 1-oxide?
The canonical SMILES for (1S)-thiadiazolidine 1-oxide is O=[S@]1CCNN1.
What is the InChIKey of (1S)-thiadiazolidine 1-oxide?
The InChIKey is KBHUCINMWRCPTR-LURJTMIESA-N. The full InChI is InChI=1S/C2H6N2OS/c5-6-2-1-3-4-6/h3-4H,1-2H2/t6-/m0/s1.
What are the key properties of (1S)-thiadiazolidine 1-oxide?
(1S)-thiadiazolidine 1-oxide has a molecular weight of 106.15 g/mol, XLogP of -1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-thiadiazolidine 1-oxide is sourced from PubChem (CID 91334788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).