cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C16H19NO5S — CID 70215750

IUPACcis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H19NO5S/c1-2-3-11-22-12-7-9-13(10-8-12)23(20,21)17-15-6-4-5-14(15)16(18)19/h7-10,14-15,17H,4-6,11H2,1H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyYKDYEVHQQXFLQF-LSDHHAIUSA-N
MW337.40 g/mol
LogP1.62
Rot. Bonds6

About cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 70215750) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID70215750
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namecis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H19NO5S/c1-2-3-11-22-12-7-9-13(10-8-12)23(20,21)17-15-6-4-5-14(15)16(18)19/h7-10,14-15,17H,4-6,11H2,1H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyYKDYEVHQQXFLQF-LSDHHAIUSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-(4-but-2-ynoxyphenyl)sulfonylcarbamate
CID 57164735
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
trans-(1R,2R)-2-[[6-[(4-cyano-2-fluorophenyl)methoxy]naphthalen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 53329608
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
[(4-but-2-ynoxyphenyl)sulfonyl-methylamino] cyclohexanecarboxylate
CID 86587114
methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 54394859
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 70215750) is cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is CC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YKDYEVHQQXFLQF-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-2-3-11-22-12-7-9-13(10-8-12)23(20,21)17-15-6-4-5-14(15)16(18)19/h7-10,14-15,17H,4-6,11H2,1H3,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 337.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70215750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).