1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid

C8H16N2O4S — CID 114806915

IUPAC1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C8H16N2O4S/c1-6(2)10-15(13,14)9-5-8(3-4-8)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNLZPDSBPFVLONM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.32
Rot. Bonds6

About 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 114806915) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID114806915
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C8H16N2O4S/c1-6(2)10-15(13,14)9-5-8(3-4-8)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNLZPDSBPFVLONM-UHFFFAOYSA-N
XLogP-0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450131
N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]propan-2-amine
CID 114805140
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110

Frequently Asked Questions

What is the IUPAC name of 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 114806915) is 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid is CC(C)NS(=O)(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NLZPDSBPFVLONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(2)10-15(13,14)9-5-8(3-4-8)7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114806915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).