3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide

C9H17NO3S — CID 117225725

IUPAC3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(CC2NCCO2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)5-1-2-8(7-14)6-9-10-3-4-13-9/h8-10H,1-7H2
InChIKeyXFKTWEKWBSTUJB-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.15
Rot. Bonds2

About 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide

3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide (PubChem CID 117225725) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
PubChem CID117225725
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(CC2NCCO2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)5-1-2-8(7-14)6-9-10-3-4-13-9/h8-10H,1-7H2
InChIKeyXFKTWEKWBSTUJB-UHFFFAOYSA-N
XLogP0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117226654
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
CID 117227706
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
CID 117225733
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
(4aR,8aR)-1,2,3,4a,5,7,8,8a-octahydrothiopyrano[3,4-b][1,4]oxazine 6,6-dioxide
CID 178199509
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889
4-(1,1-dioxothian-3-yl)but-2-yn-1-ol
CID 117265411
2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
CID 23447106
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide?
The IUPAC name of 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide (CID 117225725) is 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide?
The canonical SMILES for 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide is O=S1(=O)CCCC(CC2NCCO2)C1.
What is the InChIKey of 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide?
The InChIKey is XFKTWEKWBSTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-14(12)5-1-2-8(7-14)6-9-10-3-4-13-9/h8-10H,1-7H2.
What are the key properties of 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide?
3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide has a molecular weight of 219.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide is sourced from PubChem (CID 117225725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).