1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid

C7H14N2O4S — CID 114806428

IUPAC1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-5(2)8-14(12,13)9-7(3-4-7)6(10)11/h5,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyYULGLHSFNFNVEK-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.56
Rot. Bonds5

About 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid

1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 114806428) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
PubChem CID114806428
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-5(2)8-14(12,13)9-7(3-4-7)6(10)11/h5,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyYULGLHSFNFNVEK-UHFFFAOYSA-N
XLogP-0.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915
1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 82840389
1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
1-(dimethylsulfamoylamino)cyclopentane-1-carboxylic acid
CID 43163284
4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
CID 114462947
1-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
CID 138583497
3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
CID 114814506
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 11573082
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid (CID 114806428) is 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid is CC(C)NS(=O)(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is YULGLHSFNFNVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5(2)8-14(12,13)9-7(3-4-7)6(10)11/h5,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid?
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114806428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).