1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid

C6H11NO4S — CID 61355189

IUPAC1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C6H11NO4S/c1-2-12(10,11)7-6(3-4-6)5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyIQBRAIYUUOGWCK-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.46
Rot. Bonds4

About 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid

1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid (PubChem CID 61355189) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
PubChem CID61355189
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
SMILESCCS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C6H11NO4S/c1-2-12(10,11)7-6(3-4-6)5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyIQBRAIYUUOGWCK-UHFFFAOYSA-N
XLogP-0.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 82840389
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 79673370
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid (CID 61355189) is 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid is CCS(=O)(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is IQBRAIYUUOGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-2-12(10,11)7-6(3-4-6)5(8)9/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid?
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 193.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61355189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).