methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate

C13H25NO4S — CID 86972402

IUPACmethyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C(C)C)C1CCCC1
InChIInChI=1S/C13H25NO4S/c1-11(2)14(12-7-4-5-8-12)19(16,17)10-6-9-13(15)18-3/h11-12H,4-10H2,1-3H3
InChIKeyBWRIYFDXNAWIGE-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.92
Rot. Bonds7

About methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate

methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate (PubChem CID 86972402) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
PubChem CID86972402
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C(C)C)C1CCCC1
InChIInChI=1S/C13H25NO4S/c1-11(2)14(12-7-4-5-8-12)19(16,17)10-6-9-13(15)18-3/h11-12H,4-10H2,1-3H3
InChIKeyBWRIYFDXNAWIGE-UHFFFAOYSA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
CID 80707967
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
CID 83053832
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
CID 54952012

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate (CID 86972402) is methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C(C)C)C1CCCC1.
What is the InChIKey of methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate?
The InChIKey is BWRIYFDXNAWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-11(2)14(12-7-4-5-8-12)19(16,17)10-6-9-13(15)18-3/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate?
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate has a molecular weight of 291.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 86972402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).