methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate

C12H21NO6S2 — CID 103342714

IUPACmethyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO6S2/c1-19-12(14)10-3-2-4-11(10)21(17,18)13-7-9-5-6-20(15,16)8-9/h9-11,13H,2-8H2,1H3
InChIKeyLVKNJGSVRUMGSP-UHFFFAOYSA-N
MW339.44 g/mol
LogP-0.32
Rot. Bonds5

About methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342714) has the molecular formula C12H21NO6S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342714
Molecular FormulaC12H21NO6S2
Molecular Weight339.44 g/mol
Exact Mass339.08
IUPAC Namemethyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO6S2/c1-19-12(14)10-3-2-4-11(10)21(17,18)13-7-9-5-6-20(15,16)8-9/h9-11,13H,2-8H2,1H3
InChIKeyLVKNJGSVRUMGSP-UHFFFAOYSA-N
XLogP-0.32
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate (CID 103342714) is methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is LVKNJGSVRUMGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S2/c1-19-12(14)10-3-2-4-11(10)21(17,18)13-7-9-5-6-20(15,16)8-9/h9-11,13H,2-8H2,1H3.
What are the key properties of methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).