2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

C13H23NO5S — CID 103343234

IUPAC2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCOCC1CC1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H23NO5S/c1-14(7-8-19-9-10-5-6-10)20(17,18)12-4-2-3-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyUDMGSTQIMQYJGY-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.93
Rot. Bonds8

About 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343234) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343234
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCOCC1CC1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H23NO5S/c1-14(7-8-19-9-10-5-6-10)20(17,18)12-4-2-3-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyUDMGSTQIMQYJGY-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343070
2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342477
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342672
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343571
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (CID 103343234) is 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is CN(CCOCC1CC1)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is UDMGSTQIMQYJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-14(7-8-19-9-10-5-6-10)20(17,18)12-4-2-3-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).