3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C10H18N2O5S — CID 64836137

IUPAC3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-10(2)6(7(10)9(14)15)8(13)11-4-5-12-18(3,16)17/h6-7,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyNRXAQDRZGPMLCR-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.99
Rot. Bonds6

About 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836137) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836137
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-10(2)6(7(10)9(14)15)8(13)11-4-5-12-18(3,16)17/h6-7,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyNRXAQDRZGPMLCR-UHFFFAOYSA-N
XLogP-0.99
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114174958
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976004
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
cis-(1S,3R)-2,2-dimethyl-3-[2-(phenylcarbamoylamino)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95858808
trans-(1S,3S)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859644
cis-(1S,3R)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859643
2,2-dimethyl-3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106305204

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836137) is 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is NRXAQDRZGPMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-10(2)6(7(10)9(14)15)8(13)11-4-5-12-18(3,16)17/h6-7,12H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).