cycloheptyl(propan-2-ylsulfonyl)methanamine

C11H23NO2S — CID 54226265

IUPACcycloheptyl(propan-2-ylsulfonyl)methanamine
SMILESCC(C)S(=O)(=O)C(N)C1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)11(12)10-7-5-3-4-6-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyXXJXEYTZYDRUEB-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds3

About cycloheptyl(propan-2-ylsulfonyl)methanamine

cycloheptyl(propan-2-ylsulfonyl)methanamine (PubChem CID 54226265) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is cycloheptyl(propan-2-ylsulfonyl)methanamine.

Molecular Properties

Compound Namecycloheptyl(propan-2-ylsulfonyl)methanamine
PubChem CID54226265
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Namecycloheptyl(propan-2-ylsulfonyl)methanamine
SMILESCC(C)S(=O)(=O)C(N)C1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)11(12)10-7-5-3-4-6-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyXXJXEYTZYDRUEB-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl(propan-2-ylsulfonyl)methanamine?
The IUPAC name of cycloheptyl(propan-2-ylsulfonyl)methanamine (CID 54226265) is cycloheptyl(propan-2-ylsulfonyl)methanamine.
What is the SMILES notation for cycloheptyl(propan-2-ylsulfonyl)methanamine?
The canonical SMILES for cycloheptyl(propan-2-ylsulfonyl)methanamine is CC(C)S(=O)(=O)C(N)C1CCCCCC1.
What is the InChIKey of cycloheptyl(propan-2-ylsulfonyl)methanamine?
The InChIKey is XXJXEYTZYDRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)15(13,14)11(12)10-7-5-3-4-6-8-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of cycloheptyl(propan-2-ylsulfonyl)methanamine?
cycloheptyl(propan-2-ylsulfonyl)methanamine has a molecular weight of 233.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(propan-2-ylsulfonyl)methanamine is sourced from PubChem (CID 54226265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).