1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene

C13H17ClO2S — CID 11086921

IUPAC1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene
SMILESCOC[C@H]1CCC[C@H]1S(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO2S/c1-16-9-10-5-4-8-12(10)17(15)13-7-3-2-6-11(13)14/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t10-,12-,17?/m1/s1
InChIKeySGZLJWVJOSKBEC-LYILECPJSA-N
MW272.80 g/mol
LogP3.26
Rot. Bonds4

About 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene

1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene (PubChem CID 11086921) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene.

Molecular Properties

Compound Name1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene
PubChem CID11086921
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene
SMILESCOC[C@H]1CCC[C@H]1S(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO2S/c1-16-9-10-5-4-8-12(10)17(15)13-7-3-2-6-11(13)14/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t10-,12-,17?/m1/s1
InChIKeySGZLJWVJOSKBEC-LYILECPJSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene?
The IUPAC name of 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene (CID 11086921) is 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene.
What is the SMILES notation for 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene?
The canonical SMILES for 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene is COC[C@H]1CCC[C@H]1S(=O)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene?
The InChIKey is SGZLJWVJOSKBEC-LYILECPJSA-N. The full InChI is InChI=1S/C13H17ClO2S/c1-16-9-10-5-4-8-12(10)17(15)13-7-3-2-6-11(13)14/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t10-,12-,17?/m1/s1.
What are the key properties of 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene?
1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene has a molecular weight of 272.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene is sourced from PubChem (CID 11086921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).