methyl 2-[2-(methylamino)pentylsulfonyl]acetate

C9H19NO4S — CID 64675178

IUPACmethyl 2-[2-(methylamino)pentylsulfonyl]acetate
SMILESCCCC(CS(=O)(=O)CC(=O)OC)NC
InChIInChI=1S/C9H19NO4S/c1-4-5-8(10-2)6-15(12,13)7-9(11)14-3/h8,10H,4-7H2,1-3H3
InChIKeyMETTWBBZUTZQGD-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.04
Rot. Bonds7

About methyl 2-[2-(methylamino)pentylsulfonyl]acetate

methyl 2-[2-(methylamino)pentylsulfonyl]acetate (PubChem CID 64675178) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 2-[2-(methylamino)pentylsulfonyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methylamino)pentylsulfonyl]acetate
PubChem CID64675178
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-[2-(methylamino)pentylsulfonyl]acetate
SMILESCCCC(CS(=O)(=O)CC(=O)OC)NC
InChIInChI=1S/C9H19NO4S/c1-4-5-8(10-2)6-15(12,13)7-9(11)14-3/h8,10H,4-7H2,1-3H3
InChIKeyMETTWBBZUTZQGD-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(propylamino)pentylsulfonyl]acetate
CID 64674787
N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
CID 114232868
1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine
CID 64674910
methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
methyl 2-[(E)-oct-2-enyl]sulfonylacetate
CID 131855227
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
methyl 2-(methylsulfamoyl)acetate
CID 61360320
methyl 2-(4-aminopentylsulfonyl)acetate
CID 64675170
methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
CID 43617881
methyl 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfonylacetate
CID 64673981
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methylamino)pentylsulfonyl]acetate?
The IUPAC name of methyl 2-[2-(methylamino)pentylsulfonyl]acetate (CID 64675178) is methyl 2-[2-(methylamino)pentylsulfonyl]acetate.
What is the SMILES notation for methyl 2-[2-(methylamino)pentylsulfonyl]acetate?
The canonical SMILES for methyl 2-[2-(methylamino)pentylsulfonyl]acetate is CCCC(CS(=O)(=O)CC(=O)OC)NC.
What is the InChIKey of methyl 2-[2-(methylamino)pentylsulfonyl]acetate?
The InChIKey is METTWBBZUTZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-5-8(10-2)6-15(12,13)7-9(11)14-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-(methylamino)pentylsulfonyl]acetate?
methyl 2-[2-(methylamino)pentylsulfonyl]acetate has a molecular weight of 237.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methylamino)pentylsulfonyl]acetate is sourced from PubChem (CID 64675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).