methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate

C12H23NO4S — CID 115881165

IUPACmethyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C12H23NO4S/c1-12(2)7-6-10(9-12)13-18(15,16)8-4-5-11(14)17-3/h10,13H,4-9H2,1-3H3
InChIKeyVERJAMAXAJTPSU-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.44
Rot. Bonds6

About methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate

methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate (PubChem CID 115881165) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
PubChem CID115881165
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C12H23NO4S/c1-12(2)7-6-10(9-12)13-18(15,16)8-4-5-11(14)17-3/h10,13H,4-9H2,1-3H3
InChIKeyVERJAMAXAJTPSU-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
CID 61460468
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
CID 61460228
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate (CID 115881165) is methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate?
The InChIKey is VERJAMAXAJTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-12(2)7-6-10(9-12)13-18(15,16)8-4-5-11(14)17-3/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate?
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate has a molecular weight of 277.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate is sourced from PubChem (CID 115881165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).