7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine

C14H26N2O3S — CID 58498644

IUPAC7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(CS(=O)(=O)N1CCOCC1)C(N)C2
InChIInChI=1S/C14H26N2O3S/c1-13(2)11-3-4-14(13,12(15)9-11)10-20(17,18)16-5-7-19-8-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyQYEWKQKRZVZCFJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.80
Rot. Bonds3

About 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine

7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 58498644) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID58498644
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(CS(=O)(=O)N1CCOCC1)C(N)C2
InChIInChI=1S/C14H26N2O3S/c1-13(2)11-3-4-14(13,12(15)9-11)10-20(17,18)16-5-7-19-8-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyQYEWKQKRZVZCFJ-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 58498644) is 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(CS(=O)(=O)N1CCOCC1)C(N)C2.
What is the InChIKey of 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QYEWKQKRZVZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-13(2)11-3-4-14(13,12(15)9-11)10-20(17,18)16-5-7-19-8-6-16/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine?
7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 302.44 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 58498644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).