cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid

C15H19NO4S — CID 167750721

IUPACcis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4S/c17-15(18)13-5-2-6-14(13)16-21(19,20)12-8-7-10-3-1-4-11(10)9-12/h7-9,13-14,16H,1-6H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyZSVJXMUBMBCPQJ-KGLIPLIRSA-N
MW309.39 g/mol
LogP1.71
Rot. Bonds4

About cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 167750721) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID167750721
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namecis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4S/c17-15(18)13-5-2-6-14(13)16-21(19,20)12-8-7-10-3-1-4-11(10)9-12/h7-9,13-14,16H,1-6H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyZSVJXMUBMBCPQJ-KGLIPLIRSA-N
XLogP1.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
CID 154742702
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
N-(4-methylpyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104826100
(1R,6S)-6-(3,4-dihydro-1H-isochromen-7-ylsulfonylamino)cyclohex-3-ene-1-carboxylic acid
CID 166290515
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 70215750

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid (CID 167750721) is cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZSVJXMUBMBCPQJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(18)13-5-2-6-14(13)16-21(19,20)12-8-7-10-3-1-4-11(10)9-12/h7-9,13-14,16H,1-6H2,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167750721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).