methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate

C11H14N2O4S2 — CID 106267875

IUPACmethyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O4S2/c1-3-6-13(8-10(14)17-2)19(15,16)11-5-4-9(7-12)18-11/h4-5H,3,6,8H2,1-2H3
InChIKeyNFNAVBPWGBVPEX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate

methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate (PubChem CID 106267875) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
PubChem CID106267875
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Namemethyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O4S2/c1-3-6-13(8-10(14)17-2)19(15,16)11-5-4-9(7-12)18-11/h4-5H,3,6,8H2,1-2H3
InChIKeyNFNAVBPWGBVPEX-UHFFFAOYSA-N
XLogP1.19
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60951024
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
2-[benzyl-(5-cyanothiophen-2-yl)sulfonylamino]acetic acid
CID 154734007
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate (CID 106267875) is methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate?
The InChIKey is NFNAVBPWGBVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-3-6-13(8-10(14)17-2)19(15,16)11-5-4-9(7-12)18-11/h4-5H,3,6,8H2,1-2H3.
What are the key properties of methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate?
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate has a molecular weight of 302.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 106267875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).