6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine

C11H21NO2S — CID 121357699

IUPAC6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)NC1CC2CC1C(S(C)(=O)=O)C2
InChIInChI=1S/C11H21NO2S/c1-7(2)12-10-5-8-4-9(10)11(6-8)15(3,13)14/h7-12H,4-6H2,1-3H3
InChIKeyPJBYFXZOHLZTNB-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.20
Rot. Bonds3

About 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine

6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 121357699) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID121357699
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCC(C)NC1CC2CC1C(S(C)(=O)=O)C2
InChIInChI=1S/C11H21NO2S/c1-7(2)12-10-5-8-4-9(10)11(6-8)15(3,13)14/h7-12H,4-6H2,1-3H3
InChIKeyPJBYFXZOHLZTNB-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 121357699) is 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine is CC(C)NC1CC2CC1C(S(C)(=O)=O)C2.
What is the InChIKey of 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is PJBYFXZOHLZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-7(2)12-10-5-8-4-9(10)11(6-8)15(3,13)14/h7-12H,4-6H2,1-3H3.
What are the key properties of 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine?
6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 231.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 121357699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).