(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite

C14H14O4S — CID 20710235

IUPAC(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite
SMILESCC1(COS(=O)Oc2ccc3ccccc3c2)CO1
InChIInChI=1S/C14H14O4S/c1-14(9-16-14)10-17-19(15)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3
InChIKeySGYFMJMLQWQJPN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.60
Rot. Bonds5

About (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite

(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite (PubChem CID 20710235) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite.

Molecular Properties

Compound Name(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite
PubChem CID20710235
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite
SMILESCC1(COS(=O)Oc2ccc3ccccc3c2)CO1
InChIInChI=1S/C14H14O4S/c1-14(9-16-14)10-17-19(15)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3
InChIKeySGYFMJMLQWQJPN-UHFFFAOYSA-N
XLogP2.60
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl sulfite;nickel
CID 175470148
2,2-dimethyloxirane;naphthalene
CID 175358693
2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
CID 174787192
2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetic acid
CID 87485339
2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane
CID 14140924
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
2-methyl-2-[(2-propan-2-ylphenoxy)methyl]oxirane
CID 66334758
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-ethoxynaphthalene
CID 118978197
2-[(4-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
naphthalen-2-yl (1,1,3-trioxo-1-benzothiophen-2-yl) sulfite
CID 20695862

Frequently Asked Questions

What is the IUPAC name of (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite?
The IUPAC name of (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite (CID 20710235) is (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite.
What is the SMILES notation for (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite?
The canonical SMILES for (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite is CC1(COS(=O)Oc2ccc3ccccc3c2)CO1.
What is the InChIKey of (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite?
The InChIKey is SGYFMJMLQWQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-14(9-16-14)10-17-19(15)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3.
What are the key properties of (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite?
(2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite has a molecular weight of 278.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxiran-2-yl)methyl naphthalen-2-yl sulfite is sourced from PubChem (CID 20710235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).