2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid

C10H13NO5S2 — CID 167780643

IUPAC2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid
SMILESCc1ccsc1S(=O)(=O)NOC(C(=O)O)C1CC1
InChIInChI=1S/C10H13NO5S2/c1-6-4-5-17-10(6)18(14,15)11-16-8(9(12)13)7-2-3-7/h4-5,7-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyKOITUKPRQFOHAI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.13
Rot. Bonds6

About 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid

2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid (PubChem CID 167780643) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid
PubChem CID167780643
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid
SMILESCc1ccsc1S(=O)(=O)NOC(C(=O)O)C1CC1
InChIInChI=1S/C10H13NO5S2/c1-6-4-5-17-10(6)18(14,15)11-16-8(9(12)13)7-2-3-7/h4-5,7-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyKOITUKPRQFOHAI-UHFFFAOYSA-N
XLogP1.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide
CID 154869025
5-methyl-1-(3-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 122105889
1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea
CID 13203354
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
[dimethyl-(3-methylthiophen-2-yl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12025403
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
2,2-dimethyl-3-(3-methylthiophen-2-yl)sulfonylpropanoic acid
CID 116853089
[(3-bromothiophen-2-yl)sulfonylamino] acetate
CID 58302687
2-methyl-2-(3-methylthiophen-2-yl)sulfonylpropan-1-ol
CID 116855297
2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
CID 166263601
N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide
CID 126826618

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid (CID 167780643) is 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid is Cc1ccsc1S(=O)(=O)NOC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid?
The InChIKey is KOITUKPRQFOHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-6-4-5-17-10(6)18(14,15)11-16-8(9(12)13)7-2-3-7/h4-5,7-8,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid?
2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 167780643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).