2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C10H17NO5S — CID 119185161

IUPAC2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(CS(C)(=O)=O)N(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-6(5-17(3,15)16)11(2)9(12)7-4-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyCALRWBYAWQYYOJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.40
Rot. Bonds5

About 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119185161) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119185161
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(CS(C)(=O)=O)N(C)C(=O)C1CC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-6(5-17(3,15)16)11(2)9(12)7-4-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyCALRWBYAWQYYOJ-UHFFFAOYSA-N
XLogP-0.40
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119185161) is 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC(CS(C)(=O)=O)N(C)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CALRWBYAWQYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-6(5-17(3,15)16)11(2)9(12)7-4-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119185161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).