1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid

C9H18N2O4S — CID 114806880

IUPAC1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H18N2O4S/c1-2-10-16(14,15)11-7-9(8(12)13)5-3-4-6-9/h10-11H,2-7H2,1H3,(H,12,13)
InChIKeyUAGLXOQIFCWISU-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.08
Rot. Bonds6

About 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 114806880) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID114806880
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H18N2O4S/c1-2-10-16(14,15)11-7-9(8(12)13)5-3-4-6-9/h10-11H,2-7H2,1H3,(H,12,13)
InChIKeyUAGLXOQIFCWISU-UHFFFAOYSA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
4-methyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114806894
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051

Frequently Asked Questions

What is the IUPAC name of 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 114806880) is 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid is CCNS(=O)(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is UAGLXOQIFCWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-10-16(14,15)11-7-9(8(12)13)5-3-4-6-9/h10-11H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114806880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).