1λ6-thia-2-azanidacyclohexane 1,1-dioxide

C4H8NO2S- — CID 59037492

IUPAC1λ6-thia-2-azanidacyclohexane 1,1-dioxide
SMILESO=S1(=O)CCCC[N-]1
InChIInChI=1S/C4H8NO2S/c6-8(7)4-2-1-3-5-8/h1-4H2/q-1
InChIKeyDILPYXPKSKYCGS-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.48
Rot. Bonds

About 1λ6-thia-2-azanidacyclohexane 1,1-dioxide

1λ6-thia-2-azanidacyclohexane 1,1-dioxide (PubChem CID 59037492) has the molecular formula C4H8NO2S- and a molecular weight of 134.18 g/mol. Its IUPAC name is 1λ6-thia-2-azanidacyclohexane 1,1-dioxide.

Molecular Properties

Compound Name1λ6-thia-2-azanidacyclohexane 1,1-dioxide
PubChem CID59037492
Molecular FormulaC4H8NO2S-
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name1λ6-thia-2-azanidacyclohexane 1,1-dioxide
SMILESO=S1(=O)CCCC[N-]1
InChIInChI=1S/C4H8NO2S/c6-8(7)4-2-1-3-5-8/h1-4H2/q-1
InChIKeyDILPYXPKSKYCGS-UHFFFAOYSA-N
XLogP0.48
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Butanesultam
CID 303508
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
2-Fluorothiazinane 1,1-dioxide
CID 45090552
1,1-Dioxothiazinane-2-sulfonamide
CID 12012893
2-Ethylthiazinane 1,1-dioxide
CID 59696305
2-Hydroxythiazinane 1,1-dioxide
CID 89808940
Ethane;2-methylthiazinane 1,1-dioxide
CID 91310704
2-Iodothiazinane 1,1-dioxide
CID 118912719
2-Propylthiazinane 1,1-dioxide
CID 126654220
(4R)-2-iodo-4-methylthiazinane 1,1-dioxide
CID 138703364
Methane;thiazinane 1,1-dioxide
CID 159130961
2-Sulfanylthiazinane 1,1-dioxide
CID 164042907

Frequently Asked Questions

What is the IUPAC name of 1λ6-thia-2-azanidacyclohexane 1,1-dioxide?
The IUPAC name of 1λ6-thia-2-azanidacyclohexane 1,1-dioxide (CID 59037492) is 1λ6-thia-2-azanidacyclohexane 1,1-dioxide.
What is the SMILES notation for 1λ6-thia-2-azanidacyclohexane 1,1-dioxide?
The canonical SMILES for 1λ6-thia-2-azanidacyclohexane 1,1-dioxide is O=S1(=O)CCCC[N-]1.
What is the InChIKey of 1λ6-thia-2-azanidacyclohexane 1,1-dioxide?
The InChIKey is DILPYXPKSKYCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2S/c6-8(7)4-2-1-3-5-8/h1-4H2/q-1.
What are the key properties of 1λ6-thia-2-azanidacyclohexane 1,1-dioxide?
1λ6-thia-2-azanidacyclohexane 1,1-dioxide has a molecular weight of 134.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6-thia-2-azanidacyclohexane 1,1-dioxide is sourced from PubChem (CID 59037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).