methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate

C12H23NO4S — CID 54951967

IUPACmethyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
SMILESCCN(C1CCCC1)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C12H23NO4S/c1-3-13(11-7-4-5-8-11)18(15,16)10-6-9-12(14)17-2/h11H,3-10H2,1-2H3
InChIKeyTUYJZYAKLNDJLH-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.53
Rot. Bonds7

About methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate

methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate (PubChem CID 54951967) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
PubChem CID54951967
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
SMILESCCN(C1CCCC1)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C12H23NO4S/c1-3-13(11-7-4-5-8-11)18(15,16)10-6-9-12(14)17-2/h11H,3-10H2,1-2H3
InChIKeyTUYJZYAKLNDJLH-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 54983488
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
CID 63638842
methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
CID 61460740
N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
CID 54973746
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
CID 80707967
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate (CID 54951967) is methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate is CCN(C1CCCC1)S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate?
The InChIKey is TUYJZYAKLNDJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-3-13(11-7-4-5-8-11)18(15,16)10-6-9-12(14)17-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate?
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate has a molecular weight of 277.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate is sourced from PubChem (CID 54951967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).