2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid

C15H18O3S — CID 116517936

IUPAC2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C15H18O3S/c16-14(17)9-15(6-7-15)10-19(18)13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyLCNZHHSLZBTZLI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.55
Rot. Bonds6

About 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 116517936) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID116517936
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C15H18O3S/c16-14(17)9-15(6-7-15)10-19(18)13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)
InChIKeyLCNZHHSLZBTZLI-UHFFFAOYSA-N
XLogP2.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid (CID 116517936) is 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is LCNZHHSLZBTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c16-14(17)9-15(6-7-15)10-19(18)13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17).
What are the key properties of 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 278.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenylcyclopropyl)sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 116517936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).