2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid

C15H19NO4S — CID 60829160

IUPAC2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO4S/c17-15(18)10-16(13-6-7-13)21(19,20)14-8-5-11-3-1-2-4-12(11)9-14/h5,8-9,13H,1-4,6-7,10H2,(H,17,18)
InChIKeyQTDIQQAVUUVLQI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.80
Rot. Bonds5

About 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid

2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid (PubChem CID 60829160) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
PubChem CID60829160
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO4S/c17-15(18)10-16(13-6-7-13)21(19,20)14-8-5-11-3-1-2-4-12(11)9-14/h5,8-9,13H,1-4,6-7,10H2,(H,17,18)
InChIKeyQTDIQQAVUUVLQI-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
2-[benzenesulfonyl-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]amino]acetic acid
CID 70104830
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid (CID 60829160) is 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid?
The InChIKey is QTDIQQAVUUVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(18)10-16(13-6-7-13)21(19,20)14-8-5-11-3-1-2-4-12(11)9-14/h5,8-9,13H,1-4,6-7,10H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid?
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid has a molecular weight of 309.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60829160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).