methane;thiazinane 1,1-dioxide

C5H13NO2S — CID 159130961

IUPACmethane;thiazinane 1,1-dioxide
SMILESC.O=S1(=O)CCCCN1
InChIInChI=1S/C4H9NO2S.CH4/c6-8(7)4-2-1-3-5-8;/h5H,1-4H2;1H4
InChIKeyKGWRUKWPZFGKSW-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.34
Rot. Bonds

About methane;thiazinane 1,1-dioxide

methane;thiazinane 1,1-dioxide (PubChem CID 159130961) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is methane;thiazinane 1,1-dioxide.

Molecular Properties

Compound Namemethane;thiazinane 1,1-dioxide
PubChem CID159130961
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Namemethane;thiazinane 1,1-dioxide
SMILESC.O=S1(=O)CCCCN1
InChIInChI=1S/C4H9NO2S.CH4/c6-8(7)4-2-1-3-5-8;/h5H,1-4H2;1H4
InChIKeyKGWRUKWPZFGKSW-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;thiazinane 1,1-dioxide?
The IUPAC name of methane;thiazinane 1,1-dioxide (CID 159130961) is methane;thiazinane 1,1-dioxide.
What is the SMILES notation for methane;thiazinane 1,1-dioxide?
The canonical SMILES for methane;thiazinane 1,1-dioxide is C.O=S1(=O)CCCCN1.
What is the InChIKey of methane;thiazinane 1,1-dioxide?
The InChIKey is KGWRUKWPZFGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.CH4/c6-8(7)4-2-1-3-5-8;/h5H,1-4H2;1H4.
What are the key properties of methane;thiazinane 1,1-dioxide?
methane;thiazinane 1,1-dioxide has a molecular weight of 151.23 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;thiazinane 1,1-dioxide is sourced from PubChem (CID 159130961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).