1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid

C7H13NO4S — CID 165442622

IUPAC1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C)S(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H13NO4S/c1-3-8(2)13(11,12)7(4-5-7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyHNWPYKOJLXZALO-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds4

About 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid

1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid (PubChem CID 165442622) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
PubChem CID165442622
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C)S(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H13NO4S/c1-3-8(2)13(11,12)7(4-5-7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyHNWPYKOJLXZALO-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 23089081
2-(Azetidine-1-sulfonyl)-2-methyl-propionic acid
CID 59267979
4-(Aziridin-1-ylsulfonyl)butanoic acid
CID 130470212
4-[Ethyl(methyl)sulfamoyl]butanoic acid
CID 43263314
4-[Cyclopropyl(methyl)sulfamoyl]butanoic acid
CID 43264863
4-[Cyclopropylmethyl(methyl)sulfamoyl]butanoic acid
CID 60952477
1-(Dimethylsulfamoyl)cyclopropane-1-carboxylic acid
CID 115019358
1-[Methyl(propan-2-yl)sulfamoyl]cyclopropane-1-carboxylic acid
CID 165442303
1-[Cyclopropyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
CID 165442304
1-(Azetidine-1-sulfonyl)cyclopropane-1-carboxylic acid
CID 165442621

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid (CID 165442622) is 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid is CCN(C)S(=O)(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HNWPYKOJLXZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-3-8(2)13(11,12)7(4-5-7)6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid?
1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165442622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).