4-(cyclopropylmethylsulfonyl)-N-methylaniline

C11H15NO2S — CID 174884651

IUPAC4-(cyclopropylmethylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C11H15NO2S/c1-12-10-4-6-11(7-5-10)15(13,14)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3
InChIKeyLMWPLWLBRKGEAF-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.91
Rot. Bonds4

About 4-(cyclopropylmethylsulfonyl)-N-methylaniline

4-(cyclopropylmethylsulfonyl)-N-methylaniline (PubChem CID 174884651) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonyl)-N-methylaniline.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonyl)-N-methylaniline
PubChem CID174884651
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(cyclopropylmethylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C11H15NO2S/c1-12-10-4-6-11(7-5-10)15(13,14)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3
InChIKeyLMWPLWLBRKGEAF-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonyl)-N-methylaniline?
The IUPAC name of 4-(cyclopropylmethylsulfonyl)-N-methylaniline (CID 174884651) is 4-(cyclopropylmethylsulfonyl)-N-methylaniline.
What is the SMILES notation for 4-(cyclopropylmethylsulfonyl)-N-methylaniline?
The canonical SMILES for 4-(cyclopropylmethylsulfonyl)-N-methylaniline is CNc1ccc(S(=O)(=O)CC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethylsulfonyl)-N-methylaniline?
The InChIKey is LMWPLWLBRKGEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-10-4-6-11(7-5-10)15(13,14)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of 4-(cyclopropylmethylsulfonyl)-N-methylaniline?
4-(cyclopropylmethylsulfonyl)-N-methylaniline has a molecular weight of 225.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonyl)-N-methylaniline is sourced from PubChem (CID 174884651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).