methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate

C15H19NO4S — CID 107777756

IUPACmethyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H19NO4S/c1-20-13(17)8-15(6-7-15)10-21(19)9-11-4-2-3-5-12(11)14(16)18/h2-5H,6-10H2,1H3,(H2,16,18)
InChIKeySZDGULIVUNBYDF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.38
Rot. Bonds7

About methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777756) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
PubChem CID107777756
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H19NO4S/c1-20-13(17)8-15(6-7-15)10-21(19)9-11-4-2-3-5-12(11)14(16)18/h2-5H,6-10H2,1H3,(H2,16,18)
InChIKeySZDGULIVUNBYDF-UHFFFAOYSA-N
XLogP1.38
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate (CID 107777756) is methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)Cc2ccccc2C(N)=O)CC1.
What is the InChIKey of methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate?
The InChIKey is SZDGULIVUNBYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-20-13(17)8-15(6-7-15)10-21(19)9-11-4-2-3-5-12(11)14(16)18/h2-5H,6-10H2,1H3,(H2,16,18).
What are the key properties of methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate has a molecular weight of 309.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).