trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate

C11H21NO5S — CID 99794576

IUPACtrans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C11H21NO5S/c1-3-17-8-7-12-18(14,15)10-6-4-5-9(10)11(13)16-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKUEOCKLEIANCHP-UWVGGRQHSA-N
MW279.36 g/mol
LogP0.28
Rot. Bonds7

About trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate

trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 99794576) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID99794576
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nametrans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C11H21NO5S/c1-3-17-8-7-12-18(14,15)10-6-4-5-9(10)11(13)16-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKUEOCKLEIANCHP-UWVGGRQHSA-N
XLogP0.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343105
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-(2-morpholin-4-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342202
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate (CID 99794576) is trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate is CCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is KUEOCKLEIANCHP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-17-8-7-12-18(14,15)10-6-4-5-9(10)11(13)16-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 99794576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).