4-cyclopropyl-2-methylsulfonylaniline

C10H13NO2S — CID 134455877

IUPAC4-cyclopropyl-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(C2CC2)ccc1N
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3,11H2,1H3
InChIKeyRIRVDYJHQLCGNW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.55
Rot. Bonds2

About 4-cyclopropyl-2-methylsulfonylaniline

4-cyclopropyl-2-methylsulfonylaniline (PubChem CID 134455877) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylsulfonylaniline.

Molecular Properties

Compound Name4-cyclopropyl-2-methylsulfonylaniline
PubChem CID134455877
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-cyclopropyl-2-methylsulfonylaniline
SMILESCS(=O)(=O)c1cc(C2CC2)ccc1N
InChIInChI=1S/C10H13NO2S/c1-14(12,13)10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3,11H2,1H3
InChIKeyRIRVDYJHQLCGNW-UHFFFAOYSA-N
XLogP1.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylsulfonylaniline?
The IUPAC name of 4-cyclopropyl-2-methylsulfonylaniline (CID 134455877) is 4-cyclopropyl-2-methylsulfonylaniline.
What is the SMILES notation for 4-cyclopropyl-2-methylsulfonylaniline?
The canonical SMILES for 4-cyclopropyl-2-methylsulfonylaniline is CS(=O)(=O)c1cc(C2CC2)ccc1N.
What is the InChIKey of 4-cyclopropyl-2-methylsulfonylaniline?
The InChIKey is RIRVDYJHQLCGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3,11H2,1H3.
What are the key properties of 4-cyclopropyl-2-methylsulfonylaniline?
4-cyclopropyl-2-methylsulfonylaniline has a molecular weight of 211.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylsulfonylaniline is sourced from PubChem (CID 134455877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).