methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate

C10H17N3O4S — CID 104710365

IUPACmethyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H17N3O4S/c1-4-7-13(8-10(14)17-3)18(15,16)9-5-6-11-12(9)2/h5-6H,4,7-8H2,1-3H3
InChIKeyNDHJBLFRTXFPSZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.01
Rot. Bonds6

About methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate

methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate (PubChem CID 104710365) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
PubChem CID104710365
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Namemethyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H17N3O4S/c1-4-7-13(8-10(14)17-3)18(15,16)9-5-6-11-12(9)2/h5-6H,4,7-8H2,1-3H3
InChIKeyNDHJBLFRTXFPSZ-UHFFFAOYSA-N
XLogP-0.01
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate (CID 104710365) is methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1ccnn1C.
What is the InChIKey of methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate?
The InChIKey is NDHJBLFRTXFPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-7-13(8-10(14)17-3)18(15,16)9-5-6-11-12(9)2/h5-6H,4,7-8H2,1-3H3.
What are the key properties of methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate?
methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate has a molecular weight of 275.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 104710365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).