2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine

C12H23NO2S — CID 106733831

IUPAC2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)S(=O)(=O)CCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-9(2)16(14,15)6-5-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyRPWXXSOMKAMBNU-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.72
Rot. Bonds4

About 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine

2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 106733831) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID106733831
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)S(=O)(=O)CCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-9(2)16(14,15)6-5-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyRPWXXSOMKAMBNU-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethylsulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-amine
CID 123250122
(2S,4R)-2-(methylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 173701257
8-(2-Methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 55095918
8-(3-Methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 63192159
2,3-Dimethyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 64775377
2,3-Dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 64775395
2-(2-Methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65019773
2-(1,1-Dioxothiolan-3-yl)bicyclo[2.2.1]heptan-2-amine
CID 65019891
2-(3-Methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65020003
2-(2-Ethylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020495
2-(3-Ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65096418
1-(3-Ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 65097991

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine (CID 106733831) is 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine is CC(C)S(=O)(=O)CCC1(N)CC2CCC1C2.
What is the InChIKey of 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RPWXXSOMKAMBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9(2)16(14,15)6-5-12(13)8-10-3-4-11(12)7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106733831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).