3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide

C9H10ClNO2S — CID 15227703

IUPAC3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide
SMILESO=S1OCCN1Cc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2S/c10-9-4-2-1-3-8(9)7-11-5-6-13-14(11)12/h1-4H,5-7H2
InChIKeyNCEWPOGJUAJOAJ-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.75
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide

3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide (PubChem CID 15227703) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide
PubChem CID15227703
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide
SMILESO=S1OCCN1Cc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2S/c10-9-4-2-1-3-8(9)7-11-5-6-13-14(11)12/h1-4H,5-7H2
InChIKeyNCEWPOGJUAJOAJ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-3,5-dihydro-2H-imidazo[1,2-a]pyridine
CID 88794624
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345504
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide (CID 15227703) is 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide is O=S1OCCN1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide?
The InChIKey is NCEWPOGJUAJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-9-4-2-1-3-8(9)7-11-5-6-13-14(11)12/h1-4H,5-7H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide?
3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide has a molecular weight of 231.70 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]oxathiazolidine 2-oxide is sourced from PubChem (CID 15227703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).