ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate

C11H21NO5S — CID 115867673

IUPACethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H21NO5S/c1-3-17-10(13)8-18(15,16)12(2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3
InChIKeyAOVDXTBHAPFORT-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.12
Rot. Bonds6

About ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate

ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate (PubChem CID 115867673) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
PubChem CID115867673
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H21NO5S/c1-3-17-10(13)8-18(15,16)12(2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3
InChIKeyAOVDXTBHAPFORT-UHFFFAOYSA-N
XLogP0.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867674
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070
ethyl 2-[methoxy(methyl)sulfamoyl]acetate
CID 64591182
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
ethyl 2-amino-3-[(1-hydroxycyclopentyl)methyl-methylamino]-3-oxopropanoate
CID 114949038
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204
ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
CID 65211588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate (CID 115867673) is ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The InChIKey is AOVDXTBHAPFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-17-10(13)8-18(15,16)12(2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate has a molecular weight of 279.36 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate is sourced from PubChem (CID 115867673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).