1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid

C11H20N2O4S — CID 113312118

IUPAC1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C11H20N2O4S/c14-10(15)11(5-6-11)9-12-18(16,17)13-7-3-1-2-4-8-13/h12H,1-9H2,(H,14,15)
InChIKeyZGZQMUQBSNQOBO-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.56
Rot. Bonds5

About 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312118) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID113312118
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C11H20N2O4S/c14-10(15)11(5-6-11)9-12-18(16,17)13-7-3-1-2-4-8-13/h12H,1-9H2,(H,14,15)
InChIKeyZGZQMUQBSNQOBO-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438600
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
CID 166264552
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
2-(azepan-1-ylsulfonylamino)acetamide
CID 60713634
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536

Frequently Asked Questions

What is the IUPAC name of 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid (CID 113312118) is 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZGZQMUQBSNQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-10(15)11(5-6-11)9-12-18(16,17)13-7-3-1-2-4-8-13/h12H,1-9H2,(H,14,15).
What are the key properties of 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).