2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid

C12H24N2O5S — CID 114814505

IUPAC2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
SMILESCOCCNS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H24N2O5S/c1-19-8-7-13-20(17,18)14-10-12(9-11(15)16)5-3-2-4-6-12/h13-14H,2-10H2,1H3,(H,15,16)
InChIKeyQKKHJCUAWLVEKT-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.48
Rot. Bonds9

About 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid

2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid (PubChem CID 114814505) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
PubChem CID114814505
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
SMILESCOCCNS(=O)(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H24N2O5S/c1-19-8-7-13-20(17,18)14-10-12(9-11(15)16)5-3-2-4-6-12/h13-14H,2-10H2,1H3,(H,15,16)
InChIKeyQKKHJCUAWLVEKT-UHFFFAOYSA-N
XLogP0.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
2-[1-[(4-acetyloxybutoxycarbonylamino)methyl]cyclohexyl]acetic acid
CID 91438858
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid (CID 114814505) is 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid is COCCNS(=O)(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is QKKHJCUAWLVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-19-8-7-13-20(17,18)14-10-12(9-11(15)16)5-3-2-4-6-12/h13-14H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 308.40 g/mol, XLogP of 0.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 114814505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).