methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate

C13H25NO4S — CID 107778184

IUPACmethyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate
SMILESCCCC(CS(=O)(=O)CC1(CC(=O)OC)CC1)NC
InChIInChI=1S/C13H25NO4S/c1-4-5-11(14-2)9-19(16,17)10-13(6-7-13)8-12(15)18-3/h11,14H,4-10H2,1-3H3
InChIKeyCJKNBCPCCGEIHX-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.13
Rot. Bonds9

About methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate (PubChem CID 107778184) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate
PubChem CID107778184
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate
SMILESCCCC(CS(=O)(=O)CC1(CC(=O)OC)CC1)NC
InChIInChI=1S/C13H25NO4S/c1-4-5-11(14-2)9-19(16,17)10-13(6-7-13)8-12(15)18-3/h11,14H,4-10H2,1-3H3
InChIKeyCJKNBCPCCGEIHX-UHFFFAOYSA-N
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate (CID 107778184) is methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate is CCCC(CS(=O)(=O)CC1(CC(=O)OC)CC1)NC.
What is the InChIKey of methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate?
The InChIKey is CJKNBCPCCGEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-4-5-11(14-2)9-19(16,17)10-13(6-7-13)8-12(15)18-3/h11,14H,4-10H2,1-3H3.
What are the key properties of methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate has a molecular weight of 291.41 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(methylamino)pentylsulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).